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2-(2-bromo-4-chlorophenyl)-N-methylacetamide

2-(2-bromo-4-chlorophenyl)-N-methylacetamide

CAS: 1383543-19-8

Formula: C9H9BrClNO

SMILES: CNC(=O)CC1=C(Br)C=C(Cl)C=C1

IUPAC: 2-(2-bromo-4-chlorophenyl)-N-methylacetamide

InChI: InChI=1S/C9H9BrClNO/c1-12-9(13)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3,(H,12,13)

Composition: C (41.18%), H (3.46%), Br (30.44%), Cl (13.50%), N (5.34%), O (6.09%)

Molar Mass: 262.53

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 260.955605
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey BOZZABPSMJYHCZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.51
Topological Polar Surface Area 29.1
Polarizability 21.83
Ring Count 1
Rotatable Bond Count 2

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1383543-19-8 $51.35-$449.02$51.35$63.37$86.31$292.79$449.02
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