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88261-85-2 | Phosphoric acid, dimethyl2,3,4,5-tetrachloro-6-[[(methylamino)carbonyl]oxy]phenyl ester
CAS No: 88261-85-2 Catalog No: AG004AP8 MDL No:
Product Description
Catalog Number:
AG004AP8
Chemical Name:
Phosphoric acid, dimethyl2,3,4,5-tetrachloro-6-[[(methylamino)carbonyl]oxy]phenyl ester
CAS Number:
88261-85-2
Molecular Formula:
C10H10Cl4NO6P--
Molecular Weight:
412.9753
IUPAC Name:
[3,4,5,6-tetrachloro-1,6-dimethyl-2-(methylcarbamoyloxy)cyclohexa-2,4-dien-1-yl] phosphate
InChI:
InChI=1S/C10H12Cl4NO6P/c1-9(14)6(13)4(11)5(12)7(20-8(16)15-3)10(9,2)21-22(17,18)19/h1-3H3,(H,15,16)(H2,17,18,19)/p-2
InChI Key:
WDXVHNQMVXQBJK-UHFFFAOYSA-L
SMILES:
CNC(=O)OC1=C(Cl)C(=C(C(C1(C)OP(=O)([O-])[O-])(C)Cl)Cl)Cl
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.897g/mol
Formal Charge:
-2
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.965g/mol
Monoisotopic Mass:
410.9g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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