2-bromo-5-methylbenzonitrile

2-bromo-5-methylbenzonitrile

CAS: 42872-83-3

Formula: C8H6BrN

SMILES: CC1=CC(C#N)=C(Br)C=C1

IUPAC: 2-bromo-5-methylbenzonitrile

InChI: InChI=1S/C8H6BrN/c1-6-2-3-8(9)7(4-6)5-10/h2-4H,1H3

Composition: C (49.01%), H (3.08%), Br (40.76%), N (7.14%)

Molar Mass: 196.047

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	194.968362
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	AKCXJAVATJLYQM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.44
Topological Polar Surface Area	23.79
Polarizability	16.7
Ring Count	1
Rotatable Bond Count	0

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