Home Halogens Benzenebutanoic acid, 4-bromo-γ-oxo-, ethyl ester

Benzenebutanoic acid, 4-bromo-γ-oxo-, ethyl ester

CAS No.:
30913-87-2
Catalog Number:
AG0031N5
Molecular Formula:
C12H13BrO3
Molecular Weight:
285.1338
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Product Description
Catalog Number:
AG0031N5
Chemical Name:
Benzenebutanoic acid, 4-bromo-γ-oxo-, ethyl ester
CAS Number:
30913-87-2
Molecular Formula:
C12H13BrO3
Molecular Weight:
285.1338
MDL Number:
MFCD00672068
IUPAC Name:
ethyl 4-(4-bromophenyl)-4-oxobutanoate
InChI:
InChI=1S/C12H13BrO3/c1-2-16-12(15)8-7-11(14)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3
InChI Key:
VKPICHZTXSNYMN-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1ccc(cc1)Br
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.005g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.137g/mol
Monoisotopic Mass:
284.005g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties