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13114-07-3 | Phosphonic acid, P-(4-chlorophenyl)-, dimethyl ester
CAS No: 13114-07-3 Catalog No: AG000VLO MDL No:
Product Description
Catalog Number:
AG000VLO
Chemical Name:
Phosphonic acid, P-(4-chlorophenyl)-, dimethyl ester
CAS Number:
13114-07-3
Molecular Formula:
C8H10ClO3P
Molecular Weight:
220.5900
IUPAC Name:
1-chloro-4-dimethoxyphosphorylbenzene
InChI:
InChI=1S/C8H10ClO3P/c1-11-13(10,12-2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChI Key:
UTGYZBPCVJGRBV-UHFFFAOYSA-N
SMILES:
COP(=O)(c1ccc(cc1)Cl)OC
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.006g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.589g/mol
Monoisotopic Mass:
220.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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