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Chem 24 Dichloro Benzaldehyde Bcipl | Cheminformatics

2,4-Dichloro Benzaldehyde


  • SKU Code: CH141889
Chemical Name - 2,4-Dichloro Benzaldehyde
Mol Weight - 175.014
Smiles - O=Cc(ccc(Cl)c1)c1Cl
InChI - YSFBEAASFUWWHU-UHFFFAOYSA-N
InChIKey - InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
Property Name Property Value
Mol Name2,4-Dichloro Benzaldehyde
Molweight175.014
Monoisotopic Mass173.963919
Clogp2.8049
Clogs-3.412
H Acceptors1
Total Surface Area123.64
Relative Psa0.10547
Polar Surface Area17.07
Druglikeness-4.0334
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.7
Molecular Flexibility0.30699
Molecular Complexity0.67346
Fragments1
Non H Atoms10
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
SmilesO=Cc(ccc(Cl)c1)c1Cl
InChIKeyInChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
InChIYSFBEAASFUWWHU-UHFFFAOYSA-N

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2 - 2,4-Dichloro Benzaldehyde
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