3-bromo-6-fluoro-2-methylbenzonitrile

3-bromo-6-fluoro-2-methylbenzonitrile

CAS: 1255207-47-6

Formula: C8H5BrFN

SMILES: CC1=C(C#N)C(F)=CC=C1Br

IUPAC: 3-bromo-6-fluoro-2-methylbenzonitrile

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