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406-93-9 | 4,4,4-Trifluorobutyric acid
CAS No: 406-93-9 Catalog No: AG003KCU MDL No:MFCD00077604
Product Description
Catalog Number:
AG003KCU
Chemical Name:
4,4,4-Trifluorobutyric acid
CAS Number:
406-93-9
Molecular Formula:
C4H5F3O2
Molecular Weight:
142.0765
MDL Number:
MFCD00077604
IUPAC Name:
4,4,4-trifluorobutanoic acid
InChI:
InChI=1S/C4H5F3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)
InChI Key:
WTUCTMYLCMVYEX-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(F)(F)F
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.024g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.077g/mol
Monoisotopic Mass:
142.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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