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Home > Nitro Compounds > 89822-86-6
89822-86-6 | Phosphonic acid, [(2,6-dinitrophenyl)methyl]-
CAS No: 89822-86-6 Catalog No: AG003XMP MDL No:
Product Description
Catalog Number:
AG003XMP
Chemical Name:
Phosphonic acid, [(2,6-dinitrophenyl)methyl]-
CAS Number:
89822-86-6
Molecular Formula:
C7H7N2O7P
Molecular Weight:
262.1134
IUPAC Name:
(2,6-dinitrophenyl)methylphosphonic acid
InChI:
InChI=1S/C7H7N2O7P/c10-8(11)6-2-1-3-7(9(12)13)5(6)4-17(14,15)16/h1-3H,4H2,(H2,14,15,16)
InChI Key:
MIQCTWGNEKGXAJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1CP(=O)(O)O)[N+](=O)[O-]
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.999g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.114g/mol
Monoisotopic Mass:
261.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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