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1-bromo-3-(4-chlorophenyl)propan-2-one

1-bromo-3-(4-chlorophenyl)propan-2-one

CAS: 103557-35-3

Formula: C9H8BrClO

SMILES: ClC1=CC=C(CC(=O)CBr)C=C1

IUPAC: 1-bromo-3-(4-chlorophenyl)propan-2-one

InChI: InChI=1S/C9H8BrClO/c10-6-9(12)5-7-1-3-8(11)4-2-7/h1-4H,5-6H2

Composition: C (43.67%), H (3.26%), Br (32.28%), Cl (14.32%), O (6.46%)

Molar Mass: 247.52

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 245.944706
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey GLUIQHUZOIOCAA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.46
Topological Polar Surface Area 17.07
Polarizability 20.57
Ring Count 1
Rotatable Bond Count 3

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