2-chloro-6-formylbenzonitrile

2-chloro-6-formylbenzonitrile

CAS: 77532-86-6

Formula: C8H4ClNO

SMILES: ClC1=CC=CC(C=O)=C1C#N

IUPAC: 2-chloro-6-formylbenzonitrile

InChI: InChI=1S/C8H4ClNO/c9-8-3-1-2-6(5-11)7(8)4-10/h1-3,5H

Composition: C (58.03%), H (2.44%), Cl (21.41%), N (8.46%), O (9.66%)

Molar Mass: 165.58

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	164.9981415
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YJNHLGKBKBWMNT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.17
Topological Polar Surface Area	40.86
Polarizability	15.96
Ring Count	1
Rotatable Bond Count	1

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