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34911-51-8 | 1-Propanone,2-bromo-1-(3-chlorophenyl)-
CAS No: 34911-51-8 Catalog No: AG0037N6 MDL No:MFCD03701150
Product Description
Catalog Number:
AG0037N6
Chemical Name:
1-Propanone,2-bromo-1-(3-chlorophenyl)-
CAS Number:
34911-51-8
Molecular Formula:
C9H8BrClO
Molecular Weight:
247.5162
MDL Number:
MFCD03701150
IUPAC Name:
2-bromo-1-(3-chlorophenyl)propan-1-one
InChI:
InChI=1S/C9H8BrClO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3
InChI Key:
OFNMQTRHMBQQEA-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(=O)C(Br)C
EC Number:
252-282-1
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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