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15501-45-8 | Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester (8CI,9CI)
CAS No: 15501-45-8 Catalog No: AG001NKE MDL No:
Product Description
Catalog Number:
AG001NKE
Chemical Name:
Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester (8CI,9CI)
CAS Number:
15501-45-8
Molecular Formula:
C4H9Cl2O4P
Molecular Weight:
222.9916
IUPAC Name:
2,2-dichloro-1-dimethoxyphosphorylethanol
InChI:
InChI=1S/C4H9Cl2O4P/c1-9-11(8,10-2)4(7)3(5)6/h3-4,7H,1-2H3
InChI Key:
SJZJHMWQLCCOOR-UHFFFAOYSA-N
SMILES:
COP(=O)(C(C(Cl)Cl)O)OC
NSC Number:
172810
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.962g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.986g/mol
Monoisotopic Mass:
221.962g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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