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2-bromo-N-(4-bromophenyl)butanamide

2-bromo-N-(4-bromophenyl)butanamide

CAS: 899710-09-9

Formula: C10H11Br2NO

SMILES: CCC(Br)C(=O)NC1=CC=C(Br)C=C1

IUPAC: 2-bromo-N-(4-bromophenyl)butanamide

InChI: InChI=1/C10H11Br2NO/c1-2-9(12)10(14)13-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,13,14)

Composition: C (37.42%), H (3.45%), Br (49.78%), N (4.36%), O (4.98%)

Molar Mass: 321.012

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 318.92074
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey YHVVEKDVZHTVBG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.3
Topological Polar Surface Area 29.1
Polarizability 24.6
Ring Count 1
Rotatable Bond Count 3

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