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96222-32-1 | Ethanone, 2-bromo-2-chloro-1-(4-methylphenyl)-
CAS No: 96222-32-1 Catalog No: AG0068BH MDL No:
Product Description
Catalog Number:
AG0068BH
Chemical Name:
Ethanone, 2-bromo-2-chloro-1-(4-methylphenyl)-
CAS Number:
96222-32-1
Molecular Formula:
C9H8BrClO
Molecular Weight:
247.5162
IUPAC Name:
2-bromo-2-chloro-1-(4-methylphenyl)ethanone
InChI:
InChI=1S/C9H8BrClO/c1-6-2-4-7(5-3-6)8(12)9(10)11/h2-5,9H,1H3
InChI Key:
NSMCREIGJJAIEN-UHFFFAOYSA-N
SMILES:
ClC(C(=O)c1ccc(cc1)C)Br
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.516g/mol
Monoisotopic Mass:
245.945g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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