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N-(2-bromo-5-chloro-4-methylphenyl)acetamide

N-(2-bromo-5-chloro-4-methylphenyl)acetamide

CAS: 116010-06-1

Formula: C9H9BrClNO

SMILES: CC(=O)NC1=CC(Cl)=C(C)C=C1Br

IUPAC: N-(2-bromo-5-chloro-4-methylphenyl)acetamide

InChI: InChI=1S/C9H9BrClNO/c1-5-3-7(10)9(4-8(5)11)12-6(2)13/h3-4H,1-2H3,(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 QIMHWSBYSKKYFR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.39
Topological Polar Surface Area 29.1
Polarizability 21.75
Ring Count 1
Rotatable Bond Count 1

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