3-amino-2-chlorobenzonitrile

3-amino-2-chlorobenzonitrile

CAS: 53312-76-8

Formula: C7H5ClN2

SMILES: NC1=C(Cl)C(=CC=C1)C#N

IUPAC: 3-amino-2-chlorobenzonitrile

InChI: InChI=1S/C7H5ClN2/c8-7-5(4-9)2-1-3-6(7)10/h1-3H,10H2

Composition: C (55.10%), H (3.30%), Cl (23.23%), N (18.36%)

Molar Mass: 152.58

Atom Count: 15

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	152.0141259
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BVSNZALDJKNFPO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.28
Topological Polar Surface Area	49.81
Polarizability	15.2
Ring Count	1
Rotatable Bond Count	0

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