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2872-96-0 | Phosphoric acid, 1,2-dibromo-2,2-dichloroethyl methyl phenyl ester (7CI,8CI)
CAS No: 2872-96-0 Catalog No: AG002WA6 MDL No:
Product Description
Catalog Number:
AG002WA6
Chemical Name:
Phosphoric acid, 1,2-dibromo-2,2-dichloroethyl methyl phenyl ester (7CI,8CI)
CAS Number:
2872-96-0
Molecular Formula:
C9H9Br2Cl2O4P
Molecular Weight:
442.8531
IUPAC Name:
(1,2-dibromo-2,2-dichloroethyl) methyl phenyl phosphate
InChI:
InChI=1S/C9H9Br2Cl2O4P/c1-15-18(14,17-8(10)9(11,12)13)16-7-5-3-2-4-6-7/h2-6,8H,1H3
InChI Key:
OJZFHKHNSOWXOB-UHFFFAOYSA-N
SMILES:
COP(=O)(OC(C(Br)(Cl)Cl)Br)Oc1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.796g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.849g/mol
Monoisotopic Mass:
439.798g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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