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13329-82-3 | Phosphorothioic acid, O-(4-bromo-2,5-dichlorophenyl) O-methyl ester
CAS No: 13329-82-3 Catalog No: AG0014K2 MDL No:
Product Description
Catalog Number:
AG0014K2
Chemical Name:
Phosphorothioic acid, O-(4-bromo-2,5-dichlorophenyl) O-methyl ester
CAS Number:
13329-82-3
Molecular Formula:
C7H5BrCl2O3PS-
Molecular Weight:
350.9616
IUPAC Name:
(4-bromo-2,5-dichlorophenoxy)-hydroxy-methoxy-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C7H6BrCl2O3PS/c1-12-14(11,15)13-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3,(H,11,15)
InChI Key:
SWZHPVYVLAUYFW-UHFFFAOYSA-N
SMILES:
[O-]P(=S)(OC)Oc1cc(Cl)c(cc1Cl)Br
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.834g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.96g/mol
Monoisotopic Mass:
349.834g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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