Structure

InChI Key AKCRQHGQIJBRMN-UHFFFAOYSA-N
Smiles NC1=C(Cl)C=CC=C1
InChI
InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6Cl1N1
Molecular Weight 127.02
AlogP 1.92
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 95-51-2
NORMAN SUSDAT
FDA SRS G14I494T2F
PubChem 7240
ChemSpider 13854248.0