4-bromo-2,6-dimethylbenzonitrile

4-bromo-2,6-dimethylbenzonitrile

CAS: 5757-66-4

Formula: C9H8BrN

SMILES: CC1=CC(Br)=CC(C)=C1C#N

IUPAC: 4-bromo-2,6-dimethylbenzonitrile

InChI: InChI=1S/C9H8BrN/c1-6-3-8(10)4-7(2)9(6)5-11/h3-4H,1-2H3

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	LAYDFDMDUCVHBO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.48
Topological Polar Surface Area	23.79
Polarizability	18.45
Ring Count	1
Rotatable Bond Count	0

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