5-(aminomethyl)-2-chlorobenzonitrile

5-(aminomethyl)-2-chlorobenzonitrile

CAS: 1261499-40-4

Formula: C8H7ClN2

SMILES: NCC1=CC=C(Cl)C(=C1)C#N

IUPAC: 5-(aminomethyl)-2-chlorobenzonitrile

InChI: InChI=1S/C8H7ClN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H,4,10H2

Composition: C (57.67%), H (4.24%), Cl (21.28%), N (16.81%)

Molar Mass: 166.61

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	166.0297759
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YBAVDMUZYWKFRR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.06
Topological Polar Surface Area	49.81
Polarizability	17.4
Ring Count	1
Rotatable Bond Count	1

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