p-Nitroanisole

Formula:C7H7NO3 CAS:100-17-4 ChemrytIQ

PropertyValue
Casrn100-17-4
MolNamep-Nitroanisole
MolecularFormulaC7H7NO3
SmilesCOc(cc1)ccc1[N+]([O-])=O
InChIInChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChIKBNUHAJGCKIQFGE-UHFFFAOYSA-N
CanonicalSyTyLFyea01696f4c694341
TotalMolweight153.137
Molweight153.137
MonoisotopicMass153.042594
CLogP0.668
CLogS-2.094
H Acceptors4
TotalSurfaceArea119.19
Relative PSA0.33912
PolarSurfaceArea55.05
Druglikeness-7.2945
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.72727
Molecula Flexibility0.41149
Molecular Complexity0.61821
Fragments1
Non HAtoms11
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms3
Symmetricatoms2
AcidicOxygens1
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
100-85-6nonenonenoneHO.C10H16N150.244-2.6575 ChemrytIQ
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133 ChemrytIQ
100018-96-0highhighnoneC20H39O2I438.428-31.232 ChemrytIQ
1000339-31-0nonenonehighC12H16NCl209.7190.65299 ChemrytIQ
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712 ChemrytIQ
1000-05-1nonenonehighC8H26O3Si4282.635-83.299 ChemrytIQ
100-17-4nonenonenoneC7H7NO3153.137-7.2945 ChemrytIQ
100-97-0highhighhighC6H12N4140.1891.5849 ChemrytIQ
100011-00-5nonenonenoneC15H24O2236.354-18.044 ChemrytIQ
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509 ChemrytIQ
100-82-3nonenonenoneC7H8NF125.146-3.4112 ChemrytIQ
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797 ChemrytIQ
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592 ChemrytIQ
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874 ChemrytIQ
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651 ChemrytIQ
1000-36-8nonenonenoneC11H25O3P236.29-27.011 ChemrytIQ
100-47-0highnonehighC7H5N103.124-6.0498 ChemrytIQ
100008-84-2nonenonenoneC22H14N2O2338.3653.1859 ChemrytIQ
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766 ChemrytIQ
100-92-5nonenonenoneC11H17N163.2631.1672 ChemrytIQ
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436 ChemrytIQ
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1 ChemrytIQ
100-62-9lownonenoneC7H7N105.14-1.1924 ChemrytIQ
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793 ChemrytIQ
100004-93-1nonehighnoneC16H11NO2249.268-1.5746 ChemrytIQ
100-23-2nonehighnoneC8H10N2O2166.179-5.0759 ChemrytIQ
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412 ChemrytIQ
100-79-8nonelownoneC6H12O3132.158-9.8672 ChemrytIQ
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449 ChemrytIQ
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052 ChemrytIQ
100020-95-9highnonelowC12H17OCl212.719-11.962 ChemrytIQ
100004-79-3nonenonenoneC13H11NO2213.235-1.5864 ChemrytIQ
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981 ChemrytIQ
100-53-8nonehighhighC7H8S124.207-6.3177 ChemrytIQ
10001-51-1nonenonenoneC9H18N2O170.2555.9677 ChemrytIQ
100-40-3nonenonehighC8H12108.183-9.1684 ChemrytIQ
100-06-1nonenonenoneC9H10O2150.176-1.6836 ChemrytIQ
1000269-65-7nonenonenoneC12H19N3205.3040.25629 ChemrytIQ
100-33-4nonenonenoneC19H24N4O2340.426-7.2784 ChemrytIQ
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989 ChemrytIQ
100-54-9nonenonenoneC6H4N2104.112-6.0498 ChemrytIQ
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653 ChemrytIQ
100-52-7highhighhighC7H6O106.124-4.225 ChemrytIQ
100-56-1highlowlowC6H5ClHg313.149-2.3575 ChemrytIQ
100003-81-4highhighnoneC8H7N2OClS214.6761.4208 ChemrytIQ
1000018-48-3nonenonenoneC12H15NO4S269.321.5148 ChemrytIQ
1000-57-3highnonelowC6H16SSn238.969-7.4261 ChemrytIQ
10001-30-6nonenonenoneC17H14O4282.294-0.8408 ChemrytIQ
100012-67-7highhighhighC12H12O5236.222-19.846 ChemrytIQ
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689 ChemrytIQ
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179 ChemrytIQ
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075 ChemrytIQ
100013-07-8nonenonenoneC18H32B.Li259.263-11.013 ChemrytIQ
100-22-1highhighnoneC10H16N2164.2510.40939 ChemrytIQ
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
10-13-2009nonenonenoneC15H14O5274.271-1.4702 ChemrytIQ
100-86-7nonenonenoneC10H14O150.22-2.4187 ChemrytIQ
100007-55-4nonenonenoneC35H39O19763.676-1.2907 ChemrytIQ
100031-76-3nonenonenoneC30H44NO8P577.652-46.719 ChemrytIQ