4-bromo-2-fluoro-6-methylbenzamide

4-bromo-2-fluoro-6-methylbenzamide

CAS: 1242156-51-9

Formula: C8H7BrFNO

SMILES: CC1=C(C(N)=O)C(F)=CC(Br)=C1

IUPAC: 4-bromo-2-fluoro-6-methylbenzamide

InChI: InChI=1S/C8H7BrFNO/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3H,1H3,(H2,11,12)

Composition: C (41.41%), H (3.04%), Br (34.43%), F (8.19%), N (6.04%), O (6.89%)

Molar Mass: 232.052

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	230.969505
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	IJOBPZLSYVGZPQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.02
Topological Polar Surface Area	43.09
Polarizability	17.65
Ring Count	1
Rotatable Bond Count	1

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