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1007874-03-4 | Benzenepropanoic acid, β-chloro-3-fluoro-α-oxo-, methyl ester
CAS No: 1007874-03-4 Catalog No: AG0002VT MDL No:
Product Description
Catalog Number:
AG0002VT
Chemical Name:
Benzenepropanoic acid, β-chloro-3-fluoro-α-oxo-, methyl ester
CAS Number:
1007874-03-4
Molecular Formula:
C10H8ClFO3
Molecular Weight:
230.6201
IUPAC Name:
methyl 3-chloro-3-(3-fluorophenyl)-2-oxopropanoate
InChI:
InChI=1S/C10H8ClFO3/c1-15-10(14)9(13)8(11)6-3-2-4-7(12)5-6/h2-5,8H,1H3
InChI Key:
ZFDZEKPSKRJHJK-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)C(c1cccc(c1)F)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
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