2-bromo-N-(2,3-dimethylphenyl)butanamide

2-bromo-N-(2,3-dimethylphenyl)butanamide

CAS: 924969-58-4

Formula: C12H16BrNO

SMILES: CCC(Br)C(=O)NC1=CC=CC(C)=C1C

IUPAC: 2-bromo-N-(2,3-dimethylphenyl)butanamide

InChI: InChI=1/C12H16BrNO/c1-4-10(13)12(15)14-11-7-5-6-8(2)9(11)3/h5-7,10H,4H2,1-3H3,(H,14,15)

Composition: C (53.35%), H (5.97%), Br (29.58%), N (5.18%), O (5.92%)

Molar Mass: 270.17

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	269.041527
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	IPBROGQZLBCRRO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.76
Topological Polar Surface Area	29.1
Polarizability	25.08
Ring Count	1
Rotatable Bond Count	3

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