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302912-30-7 | Benzenebutanoic acid, 3,5-difluoro-γ-oxo-
CAS No: 302912-30-7 Catalog No: AG002ZIA MDL No:MFCD01320074
Product Description
Catalog Number:
AG002ZIA
Chemical Name:
Benzenebutanoic acid, 3,5-difluoro-γ-oxo-
CAS Number:
302912-30-7
Molecular Formula:
C10H8F2O3
Molecular Weight:
214.1655
MDL Number:
MFCD01320074
IUPAC Name:
4-(3,5-difluorophenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C10H8F2O3/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:
SSBFKGDYTIRSOC-UHFFFAOYSA-N
SMILES:
O=C(c1cc(F)cc(c1)F)CCC(=O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.168g/mol
Monoisotopic Mass:
214.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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