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Home > Fluorides > 951891-58-0
951891-58-0 | 4-(2,3,4,5-Tetrafluorophenyl)-4-oxobutyric acid
CAS No: 951891-58-0 Catalog No: AG01EZYH MDL No:
Product Description
Catalog Number:
AG01EZYH
Chemical Name:
4-(2,3,4,5-Tetrafluorophenyl)-4-oxobutyric acid
CAS Number:
951891-58-0
Molecular Formula:
C10H6F4O3
Molecular Weight:
250.1465
IUPAC Name:
4-oxo-4-(2,3,4,5-tetrafluorophenyl)butanoic acid
InChI:
InChI=1S/C10H6F4O3/c11-5-3-4(6(15)1-2-7(16)17)8(12)10(14)9(5)13/h3H,1-2H2,(H,16,17)
InChI Key:
ZLUZCDBISQJJQW-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1cc(F)c(c(c1F)F)F
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.149g/mol
Monoisotopic Mass:
250.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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