4-(bromomethyl)-2-methylbenzonitrile

4-(bromomethyl)-2-methylbenzonitrile

CAS: 1001055-64-6

Formula: C9H8BrN

SMILES: CC1=CC(CBr)=CC=C1C#N

IUPAC: 4-(bromomethyl)-2-methylbenzonitrile

InChI: InChI=1S/C9H8BrN/c1-7-4-8(5-10)2-3-9(7)6-11/h2-4H,5H2,1H3

Composition: C (51.46%), H (3.84%), Br (38.04%), N (6.67%)

Molar Mass: 210.074

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.984012
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KGLCJUZLNDBRMF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.67
Topological Polar Surface Area	23.79
Polarizability	18.42
Ring Count	1
Rotatable Bond Count	1

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