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Home > Fluorides > 118438-98-5
118438-98-5 | Phosphonic acid, P-(1,1-difluoro-2,3-butadien-1-yl)-, diethyl ester
CAS No: 118438-98-5 Catalog No: AG000ITW MDL No:
Product Description
Catalog Number:
AG000ITW
Chemical Name:
Phosphonic acid, P-(1,1-difluoro-2,3-butadien-1-yl)-, diethyl ester
CAS Number:
118438-98-5
Molecular Formula:
C8H13F2O3P
Molecular Weight:
226.1576
IUPAC Name:
4-diethoxyphosphoryl-4,4-difluorobuta-1,2-diene
InChI:
InChI=1S/C8H13F2O3P/c1-4-7-8(9,10)14(11,12-5-2)13-6-3/h7H,1,5-6H2,2-3H3
InChI Key:
GXBHQTBXMMOUHU-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(C=C=C)(F)F)OCC
Properties
Complexity:
262
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.16g/mol
Monoisotopic Mass:
226.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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