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13844-30-9 | 2-Butenoic acid, 4-(diethoxyphosphinyl)-2-fluoro-3-methyl-, ethyl ester
CAS No: 13844-30-9 Catalog No: AG001966 MDL No:
Product Description
Catalog Number:
AG001966
Chemical Name:
2-Butenoic acid, 4-(diethoxyphosphinyl)-2-fluoro-3-methyl-, ethyl ester
CAS Number:
13844-30-9
Molecular Formula:
C11H20FO5P
Molecular Weight:
282.2457
IUPAC Name:
ethyl 4-diethoxyphosphoryl-2-fluoro-3-methylbut-2-enoate
InChI:
InChI=1S/C11H20FO5P/c1-5-15-11(13)10(12)9(4)8-18(14,16-6-2)17-7-3/h5-8H2,1-4H3
InChI Key:
PKDHXIUWRKYEAW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(CP(=O)(OCC)OCC)C)F
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.248g/mol
Monoisotopic Mass:
282.103g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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