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131927-88-3 | Butanoic acid, 2-[bis(2,2,2-trifluoroethoxy)phosphinyl]-, methyl ester
CAS No: 131927-88-3 Catalog No: AG000ZXK MDL No:
Product Description
Catalog Number:
AG000ZXK
Chemical Name:
Butanoic acid, 2-[bis(2,2,2-trifluoroethoxy)phosphinyl]-, methyl ester
CAS Number:
131927-88-3
Molecular Formula:
C9H13F6O5P
Molecular Weight:
346.1607
IUPAC Name:
methyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]butanoate
InChI:
InChI=1S/C9H13F6O5P/c1-3-6(7(16)18-2)21(17,19-4-8(10,11)12)20-5-9(13,14)15/h6H,3-5H2,1-2H3
InChI Key:
IOEQJBCKDSOHGO-UHFFFAOYSA-N
SMILES:
CCC(P(=O)(OCC(F)(F)F)OCC(F)(F)F)C(=O)OC
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.04g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.162g/mol
Monoisotopic Mass:
346.04g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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