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82682-92-6 | PHOSPHORIC ACID BIS(2,3-DIBROMOPROPYL) METHYL ESTER
CAS No: 82682-92-6 Catalog No: AG004WUL MDL No:
Product Description
Catalog Number:
AG004WUL
Chemical Name:
PHOSPHORIC ACID BIS(2,3-DIBROMOPROPYL) METHYL ESTER
CAS Number:
82682-92-6
Molecular Formula:
C7H13Br4O4P
Molecular Weight:
511.7655
IUPAC Name:
bis(2,3-dibromopropyl) methyl phosphate
InChI:
InChI=1S/C7H13Br4O4P/c1-13-16(12,14-4-6(10)2-8)15-5-7(11)3-9/h6-7H,2-5H2,1H3
InChI Key:
MZYXPXYVPOIVAY-UHFFFAOYSA-N
SMILES:
BrCC(COP(=O)(OCC(CBr)Br)OC)Br
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
511.724g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
511.767g/mol
Monoisotopic Mass:
507.728g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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