3-bromo-2-(methylamino)benzonitrile

3-bromo-2-(methylamino)benzonitrile

CAS: 1369954-33-5

Formula: C8H7BrN2

SMILES: CNC1=C(C=CC=C1Br)C#N

IUPAC: 3-bromo-2-(methylamino)benzonitrile

InChI: InChI=1S/C8H7BrN2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-4,11H,1H3

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	DVXVZUAIPHHJOF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.6
Topological Polar Surface Area	35.82
Polarizability	17.95
Ring Count	1
Rotatable Bond Count	1

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