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1023-63-8 | Phosphonic acid, [2-(4-chlorophenyl)ethenyl]-, diethyl ester (9CI)
CAS No: 1023-63-8 Catalog No: AG00075X MDL No:
Product Description
Catalog Number:
AG00075X
Chemical Name:
Phosphonic acid, [2-(4-chlorophenyl)ethenyl]-, diethyl ester (9CI)
CAS Number:
1023-63-8
Molecular Formula:
C12H16ClO3P
Molecular Weight:
274.6804
IUPAC Name:
1-chloro-4-(2-diethoxyphosphorylethenyl)benzene
InChI:
InChI=1S/C12H16ClO3P/c1-3-15-17(14,16-4-2)10-9-11-5-7-12(13)8-6-11/h5-10H,3-4H2,1-2H3
InChI Key:
SWYVCFGKNSHNDR-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C=Cc1ccc(cc1)Cl)OCC
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.681g/mol
Monoisotopic Mass:
274.053g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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