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89080-12-6 | Phosphonic acid, (2-chloro-3,4-dimethyl-1,3-pentadienyl)-, diethyl ester
CAS No: 89080-12-6 Catalog No: AG0040BX MDL No:
Product Description
Catalog Number:
AG0040BX
Chemical Name:
Phosphonic acid, (2-chloro-3,4-dimethyl-1,3-pentadienyl)-, diethyl ester
CAS Number:
89080-12-6
Molecular Formula:
C11H20ClO3P
Molecular Weight:
266.7015
IUPAC Name:
2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene
InChI:
InChI=1S/C11H20ClO3P/c1-6-14-16(13,15-7-2)8-11(12)10(5)9(3)4/h8H,6-7H2,1-5H3
InChI Key:
LUOHGUDUVCFMEY-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C=C(C(=C(C)C)C)Cl)OCC
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.702g/mol
Monoisotopic Mass:
266.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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