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114492-66-9 | Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl ester
CAS No: 114492-66-9 Catalog No: AG000EJ9 MDL No:
Product Description
Catalog Number:
AG000EJ9
Chemical Name:
Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl ester
CAS Number:
114492-66-9
Molecular Formula:
C7H13Br2Cl2O4P
Molecular Weight:
422.8635
IUPAC Name:
bis(2-chloroethyl) 2,3-dibromopropyl phosphate
InChI:
InChI=1S/C7H13Br2Cl2O4P/c8-5-7(9)6-15-16(12,13-3-1-10)14-4-2-11/h7H,1-6H2
InChI Key:
YEBDLDYNNCWRPA-UHFFFAOYSA-N
SMILES:
ClCCOP(=O)(OCC(CBr)Br)OCCCl
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.827g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.859g/mol
Monoisotopic Mass:
419.83g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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