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845790-47-8 | 4-(3-CHLORO-5-FLUOROPHENYL)-4-OXOBUTYRIC ACID
CAS No: 845790-47-8 Catalog No: AG004UEP MDL No:MFCD06201695
Product Description
Catalog Number:
AG004UEP
Chemical Name:
4-(3-CHLORO-5-FLUOROPHENYL)-4-OXOBUTYRIC ACID
CAS Number:
845790-47-8
Molecular Formula:
C10H8ClFO3
Molecular Weight:
230.6201
MDL Number:
MFCD06201695
IUPAC Name:
4-(3-chloro-5-fluorophenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C10H8ClFO3/c11-7-3-6(4-8(12)5-7)9(13)1-2-10(14)15/h3-5H,1-2H2,(H,14,15)
InChI Key:
TYZQVKLGTNMCBN-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1cc(F)cc(c1)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:
1
Isotope Atom Count:
0
Molecular Weight:
230.619g/mol
Monoisotopic Mass:
230.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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