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Home > Fluorides > 140126-96-1
140126-96-1 | Pentanoic acid, 2,2-difluoro-
CAS No: 140126-96-1 Catalog No: AG001C26 MDL No:MFCD11007686
Product Description
Catalog Number:
AG001C26
Chemical Name:
Pentanoic acid, 2,2-difluoro-
CAS Number:
140126-96-1
Molecular Formula:
C5H8F2O2
Molecular Weight:
138.1126
MDL Number:
MFCD11007686
IUPAC Name:
2,2-difluoropentanoic acid
InChI:
InChI=1S/C5H8F2O2/c1-2-3-5(6,7)4(8)9/h2-3H2,1H3,(H,8,9)
InChI Key:
DIXONZOTEIIZKO-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)O)(F)F
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.049g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.114g/mol
Monoisotopic Mass:
138.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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