2-bromo-4-fluoro-5-methylbenzonitrile

2-bromo-4-fluoro-5-methylbenzonitrile

CAS: 916792-07-9

Formula: C8H5BrFN

SMILES: CC1=CC(C#N)=C(Br)C=C1F

IUPAC: 2-bromo-4-fluoro-5-methylbenzonitrile

InChI: InChI=1S/C8H5BrFN/c1-5-2-6(4-11)7(9)3-8(5)10/h2-3H,1H3

Composition: C (44.89%), H (2.35%), Br (37.33%), F (8.88%), N (6.54%)

Molar Mass: 214.037

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.95894
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	GFLYZSZBOYNJRI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.66
Topological Polar Surface Area	23.79
Polarizability	16.54
Ring Count	1
Rotatable Bond Count	0

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