3-bromo-2-(bromomethyl)benzonitrile

3-bromo-2-(bromomethyl)benzonitrile

CAS: 1233479-42-9

Formula: C8H5Br2N

SMILES: BrCC1=C(C=CC=C1Br)C#N

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

InChI: InChI=1S/C8H5Br2N/c9-4-7-6(5-11)2-1-3-8(7)10/h1-3H,4H2

Composition: C (34.95%), H (1.83%), Br (58.12%), N (5.09%)

Molar Mass: 274.943

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.878875
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JGGHLJKQQVOMMG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.25
Topological Polar Surface Area	23.79
Polarizability	19.74
Ring Count	1
Rotatable Bond Count	1

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