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20641-28-5 | Phosphonic acid, P-[(4-chlorophenyl)hydroxymethyl]-, diethyl ester
CAS No: 20641-28-5 Catalog No: AG002IHH MDL No:
Product Description
Catalog Number:
AG002IHH
Chemical Name:
Phosphonic acid, P-[(4-chlorophenyl)hydroxymethyl]-, diethyl ester
CAS Number:
20641-28-5
Molecular Formula:
C11H16ClO4P
Molecular Weight:
278.6691
IUPAC Name:
(4-chlorophenyl)-diethoxyphosphorylmethanol
InChI:
InChI=1S/C11H16ClO4P/c1-3-15-17(14,16-4-2)11(13)9-5-7-10(12)8-6-9/h5-8,11,13H,3-4H2,1-2H3
InChI Key:
RIQJHXWKWXDLFM-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1ccc(cc1)Cl)O)OCC
NSC Number:
404325
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.669g/mol
Monoisotopic Mass:
278.047g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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