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13104-21-7 | Phosphoric acid, 2-bromo-1-(2,4-dichlorophenyl)ethenyl dimethyl ester
CAS No: 13104-21-7 Catalog No: AG000VEV MDL No:
Product Description
Catalog Number:
AG000VEV
Chemical Name:
Phosphoric acid, 2-bromo-1-(2,4-dichlorophenyl)ethenyl dimethyl ester
CAS Number:
13104-21-7
Molecular Formula:
C10H10BrCl2O4P
Molecular Weight:
375.9678
IUPAC Name:
[(E)-2-bromo-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate
InChI:
InChI=1S/C10H10BrCl2O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3/b10-6+
InChI Key:
LOOAGTDYKNUDBZ-UXBLZVDNSA-N
SMILES:
BrC=C(c1ccc(cc1Cl)Cl)OP(=O)(OC)OC
UNII:
XZL69YN9G6
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
373.888g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.964g/mol
Monoisotopic Mass:
373.888g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Acetylcholinesterase activity in several rat liver cell fractions after repeated poisoning with some organophosphates. | Acta physiologica Polonica 19800101 |
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