2-(4-amino-3-bromophenyl)acetonitrile

2-(4-amino-3-bromophenyl)acetonitrile

CAS: 882855-96-1

Formula: C8H7BrN2

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

IUPAC: 2-(4-amino-3-bromophenyl)acetonitrile

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

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	JWDNUJFNVCIOTJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.67
Topological Polar Surface Area	49.81
Polarizability	17.81
Ring Count	1
Rotatable Bond Count	1

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