3-(aminomethyl)-5-bromobenzonitrile

3-(aminomethyl)-5-bromobenzonitrile

CAS: 1177558-50-7

Formula: C8H7BrN2

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

IUPAC: 3-(aminomethyl)-5-bromobenzonitrile

InChI: InChI=1S/C8H7BrN2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3H,4,10H2

Composition: C (45.53%), H (3.34%), Br (37.86%), N (13.27%)

Molar Mass: 211.062

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.979261
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OCPATBUYJSSEMJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.88
Topological Polar Surface Area	49.81
Polarizability	18.29
Ring Count	1
Rotatable Bond Count	1

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