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114492-65-8 | Phosphoric acid, bis(2-chloropropyl) 2,3-dibromopropyl ester
CAS No: 114492-65-8 Catalog No: AG000EJA MDL No:
Product Description
Catalog Number:
AG000EJA
Chemical Name:
Phosphoric acid, bis(2-chloropropyl) 2,3-dibromopropyl ester
CAS Number:
114492-65-8
Molecular Formula:
C9H17Br2Cl2O4P
Molecular Weight:
450.9166
IUPAC Name:
bis(2-chloropropyl) 2,3-dibromopropyl phosphate
InChI:
InChI=1S/C9H17Br2Cl2O4P/c1-7(12)4-15-18(14,16-5-8(2)13)17-6-9(11)3-10/h7-9H,3-6H2,1-2H3
InChI Key:
OAWAXRZMMCPJOJ-UHFFFAOYSA-N
SMILES:
BrCC(COP(=O)(OCC(Cl)C)OCC(Cl)C)Br
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.859g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.913g/mol
Monoisotopic Mass:
447.861g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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