200,000+ products from a single source!
sales@angenechem.com
160010-18-4 | Benzenebutanoic acid, 4-bromo-β-oxo-, ethyl ester
CAS No: 160010-18-4 Catalog No: AG001RLJ MDL No:MFCD03844415
Product Description
Catalog Number:
AG001RLJ
Chemical Name:
Benzenebutanoic acid, 4-bromo-β-oxo-, ethyl ester
CAS Number:
160010-18-4
Molecular Formula:
C12H13BrO3
Molecular Weight:
285.1338
MDL Number:
MFCD03844415
IUPAC Name:
ethyl 4-(4-bromophenyl)-3-oxobutanoate
InChI:
InChI=1S/C12H13BrO3/c1-2-16-12(15)8-11(14)7-9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3
InChI Key:
BRYNITBKFYVFBV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)Cc1ccc(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:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.