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91599-30-3 | Phosphoric acid, mono(4-chlorophenyl) mono(1,3-dichloropropyl) ester
CAS No: 91599-30-3 Catalog No: AG006FVQ MDL No:
Product Description
Catalog Number:
AG006FVQ
Chemical Name:
Phosphoric acid, mono(4-chlorophenyl) mono(1,3-dichloropropyl) ester
CAS Number:
91599-30-3
Molecular Formula:
C9H9Cl3O4P-
Molecular Weight:
318.4981
IUPAC Name:
(4-chlorophenyl) 1,3-dichloropropyl phosphate
InChI:
InChI=1S/C9H10Cl3O4P/c10-6-5-9(12)16-17(13,14)15-8-3-1-7(11)2-4-8/h1-4,9H,5-6H2,(H,13,14)/p-1
InChI Key:
MKXVUORRNQQBAO-UHFFFAOYSA-M
SMILES:
ClCCC(OP(=O)(Oc1ccc(cc1)Cl)[O-])Cl
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.93g/mol
Formal Charge:
-1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.491g/mol
Monoisotopic Mass:
316.93g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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