200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1007875-06-0
1007875-06-0 | Benzenepropanoic acid, β-chloro-2-fluoro-α-oxo-, methyl ester
CAS No: 1007875-06-0 Catalog No: AG0002VR MDL No:
Product Description
Catalog Number:
AG0002VR
Chemical Name:
Benzenepropanoic acid, β-chloro-2-fluoro-α-oxo-, methyl ester
CAS Number:
1007875-06-0
Molecular Formula:
C10H8ClFO3
Molecular Weight:
230.6201
IUPAC Name:
methyl 3-chloro-3-(2-fluorophenyl)-2-oxopropanoate
InChI:
InChI=1S/C10H8ClFO3/c1-15-10(14)9(13)8(11)6-4-2-3-5-7(6)12/h2-5,8H,1H3
InChI Key:
RWQXMFKYDFWJOF-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)C(c1ccccc1F)Cl
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.619g/mol
Monoisotopic Mass:
230.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.