(2-bromo-4-methylphenyl)hydrazine

CAS Number: 67156-57-4
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Cc(cc1)cc(Br)c1NN
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C7H9N2Br
Molecular Weight
201.066
Drug-likeness
-6.3
CAS
67156-57-4
InChI key
UVGAXOGYWXOXKO-UHFFFAOYSA-N
SMILES
Cc(cc1)cc(Br)c1NN
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 67156-57-4
Molecule Name (2-bromo-4-methylphenyl)hydrazine
Molecular Formula C7H9N2Br
SMILES Cc(cc1)cc(Br)c1NN
InChI InChI=1S/C7H9BrN2/c1-5-2-3-7(10-9)6(8)4-5/h2-4,10H,9H2,1H3
InChI Key UVGAXOGYWXOXKO-UHFFFAOYSA-N
CanonicalSyTyLFy a3f1b9c1b5241ef1
TotalMolweight 201.066
Molecular Weight 201.066
MonoisotopicMass 199.994909
CLogP 2.6912
CLogS -2.588
H Acceptors 2
H Donors 2
TotalSurfaceArea 124.13
Relative PSA 0.21534
PolarSurfaceArea 38.05
Drug-likeness -6.3
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.7
Molecula Flexibility 0.017819
Molecular Complexity 0.68024
Fragments 1
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 2

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