200,000+ products from a single source!
sales@angenechem.com
126629-81-0 | Benzenepropanoic acid, 4-bromo-β-oxo-, methyl ester
CAS No: 126629-81-0 Catalog No: AG000T14 MDL No:MFCD03424773
Product Description
Catalog Number:
AG000T14
Chemical Name:
Benzenepropanoic acid, 4-bromo-β-oxo-, methyl ester
CAS Number:
126629-81-0
Molecular Formula:
C10H9BrO3
Molecular Weight:
257.0807
MDL Number:
MFCD03424773
IUPAC Name:
methyl 3-(4-bromophenyl)-3-oxopropanoate
InChI:
InChI=1S/C10H9BrO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
InChI Key:
SNZLRGHNGDZHTB-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1ccc(cc1)Br
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.083g/mol
Monoisotopic Mass:
255.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.