2-bromo-N-(2-methoxy-5-methylphenyl)propanamide

2-bromo-N-(2-methoxy-5-methylphenyl)propanamide

CAS: 897314-34-0

Formula: C11H14BrNO2

SMILES: COC1=C(NC(=O)C(C)Br)C=C(C)C=C1

IUPAC: 2-bromo-N-(2-methoxy-5-methylphenyl)propanamide

InChI: InChI=1/C11H14BrNO2/c1-7-4-5-10(15-3)9(6-7)13-11(14)8(2)12/h4-6,8H,1-3H3,(H,13,14)

Composition: C (48.55%), H (5.19%), Br (29.36%), N (5.15%), O (11.76%)

Molar Mass: 272.142

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	271.020792
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QRMORLPITJKOOT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.66
Topological Polar Surface Area	38.33
Polarizability	24.07
Ring Count	1
Rotatable Bond Count	3

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