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234443-22-2 | Pentanoic acid, 5-bromo-4,4,5,5-tetrafluoro-
CAS No: 234443-22-2 Catalog No: AG002N95 MDL No:MFCD00153717
Product Description
Catalog Number:
AG002N95
Chemical Name:
Pentanoic acid, 5-bromo-4,4,5,5-tetrafluoro-
CAS Number:
234443-22-2
Molecular Formula:
C5H5BrF4O2
Molecular Weight:
252.9896
MDL Number:
MFCD00153717
IUPAC Name:
5-bromo-4,4,5,5-tetrafluoropentanoic acid
InChI:
InChI=1S/C5H5BrF4O2/c6-5(9,10)4(7,8)2-1-3(11)12/h1-2H2,(H,11,12)
InChI Key:
OIIFPRVLJLLMOZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(C(Br)(F)F)(F)F
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.941g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.991g/mol
Monoisotopic Mass:
251.941g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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