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81860-11-9 | 1-Propanol, 2,2,3,3,3-pentafluoro-, phosphite (3:1)
CAS No: 81860-11-9 Catalog No: AG005H5A MDL No:
Product Description
Catalog Number:
AG005H5A
Chemical Name:
1-Propanol, 2,2,3,3,3-pentafluoro-, phosphite (3:1)
CAS Number:
81860-11-9
Molecular Formula:
C9H12F15O6P
Molecular Weight:
532.1378
IUPAC Name:
2,2,3,3,3-pentafluoropropan-1-ol;phosphorous acid
InChI:
InChI=1S/3C3H3F5O.H3O3P/c3*4-2(5,1-9)3(6,7)8;1-4(2)3/h3*9H,1H2;1-3H
InChI Key:
FGQFIACDJNRXOF-UHFFFAOYSA-N
SMILES:
OP(O)O.OCC(C(F)(F)F)(F)F.OCC(C(F)(F)F)(F)F.OCC(C(F)(F)F)(F)F
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.013g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
532.139g/mol
Monoisotopic Mass:
532.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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