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2-bromo-N-[(3-methoxyphenyl)methyl]butanamide

2-bromo-N-[(3-methoxyphenyl)methyl]butanamide

CAS: 1119452-46-8

Formula: C12H16BrNO2

SMILES: CCC(Br)C(=O)NCC1=CC(OC)=CC=C1

IUPAC: 2-bromo-N-[(3-methoxyphenyl)methyl]butanamide

InChI: InChI=1/C12H16BrNO2/c1-3-11(13)12(15)14-8-9-5-4-6-10(7-9)16-2/h4-7,11H,3,8H2,1-2H3,(H,14,15)

Composition: C (50.37%), H (5.64%), Br (27.92%), N (4.89%), O (11.18%)

Molar Mass: 286.169

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 285.036442
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GCSGZSBKJAWSAW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.19
Topological Polar Surface Area 38.33
Polarizability 25.97
Ring Count 1
Rotatable Bond Count 5

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