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162247-45-2 | Phosphonic acid, [(2,6-dichlorophenyl)methyl]-, dimethyl ester (9CI)
CAS No: 162247-45-2 Catalog No: AG001SWU MDL No:MFCD09838880
Product Description
Catalog Number:
AG001SWU
Chemical Name:
Phosphonic acid, [(2,6-dichlorophenyl)methyl]-, dimethyl ester (9CI)
CAS Number:
162247-45-2
Molecular Formula:
C9H11Cl2O3P
Molecular Weight:
269.0616
MDL Number:
MFCD09838880
IUPAC Name:
1,3-dichloro-2-(dimethoxyphosphorylmethyl)benzene
InChI:
InChI=1S/C9H11Cl2O3P/c1-13-15(12,14-2)6-7-8(10)4-3-5-9(7)11/h3-5H,6H2,1-2H3
InChI Key:
QTLHZYQOCNDPAF-UHFFFAOYSA-N
SMILES:
COP(=O)(Cc1c(Cl)cccc1Cl)OC
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.982g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.058g/mol
Monoisotopic Mass:
267.982g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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