5-bromo-2-(methylamino)benzonitrile

5-bromo-2-(methylamino)benzonitrile

CAS: 106874-91-3

Formula: C8H7BrN2

SMILES: CNC1=C(C=C(Br)C=C1)C#N

IUPAC: 5-bromo-2-(methylamino)benzonitrile

InChI: InChI=1S/C8H7BrN2/c1-11-8-3-2-7(9)4-6(8)5-10/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	SNCBXJLGIWYANH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.6
Topological Polar Surface Area	35.82
Polarizability	17.94
Ring Count	1
Rotatable Bond Count	1

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