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87539-27-3 | Phosphonic acid, phenyl-, methyl 2,3,6-trichlorophenyl ester
CAS No: 87539-27-3 Catalog No: AG004H43 MDL No:
Product Description
Catalog Number:
AG004H43
Chemical Name:
Phosphonic acid, phenyl-, methyl 2,3,6-trichlorophenyl ester
CAS Number:
87539-27-3
Molecular Formula:
C13H10Cl3O3P
Molecular Weight:
351.5495
IUPAC Name:
1,2,4-trichloro-3-[methoxy(phenyl)phosphoryl]oxybenzene
InChI:
InChI=1S/C13H10Cl3O3P/c1-18-20(17,9-5-3-2-4-6-9)19-13-11(15)8-7-10(14)12(13)16/h2-8H,1H3
InChI Key:
ARPALNSSUHLZOW-UHFFFAOYSA-N
SMILES:
COP(=O)(c1ccccc1)Oc1c(Cl)ccc(c1Cl)Cl
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.943g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.544g/mol
Monoisotopic Mass:
349.943g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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