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Home > Nitro Compounds > 127414-67-9
127414-67-9 | Phosphoric acid, 2,4-dinitrophenyl diphenyl ester
CAS No: 127414-67-9 Catalog No: AG000X1T MDL No:
Product Description
Catalog Number:
AG000X1T
Chemical Name:
Phosphoric acid, 2,4-dinitrophenyl diphenyl ester
CAS Number:
127414-67-9
Molecular Formula:
C18H13N2O8P
Molecular Weight:
416.2782
IUPAC Name:
(2,4-dinitrophenyl) diphenyl phosphate
InChI:
InChI=1S/C18H13N2O8P/c21-19(22)14-11-12-18(17(13-14)20(23)24)28-29(25,26-15-7-3-1-4-8-15)27-16-9-5-2-6-10-16/h1-13H
InChI Key:
BZFDJYUVZMVKDJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1OP(=O)(Oc1ccccc1)Oc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.041g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.282g/mol
Monoisotopic Mass:
416.041g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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