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87427-59-6 | Ethanone, 2-bromo-1-(3-chloro-4-methylphenyl)-
CAS No: 87427-59-6 Catalog No: AG004MW7 MDL No:
Product Description
Catalog Number:
AG004MW7
Chemical Name:
Ethanone, 2-bromo-1-(3-chloro-4-methylphenyl)-
CAS Number:
87427-59-6
Molecular Formula:
C9H8BrClO
Molecular Weight:
247.5162
IUPAC Name:
2-bromo-1-(3-chloro-4-methylphenyl)ethanone
InChI:
InChI=1S/C9H8BrClO/c1-6-2-3-7(4-8(6)11)9(12)5-10/h2-4H,5H2,1H3
InChI Key:
HLDCKLUHLITEHK-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(c(c1)Cl)C
Properties
Complexity:
172
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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