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Home > Nitro Compounds > 79202-15-6
79202-15-6 | Phosphonic acid, [hydroxy(2-nitrophenyl)methyl]-, diethyl ester
CAS No: 79202-15-6 Catalog No: AG005355 MDL No:
Product Description
Catalog Number:
AG005355
Chemical Name:
Phosphonic acid, [hydroxy(2-nitrophenyl)methyl]-, diethyl ester
CAS Number:
79202-15-6
Molecular Formula:
C11H16NO6P
Molecular Weight:
289.2216
IUPAC Name:
diethoxyphosphoryl-(2-nitrophenyl)methanol
InChI:
InChI=1S/C11H16NO6P/c1-3-17-19(16,18-4-2)11(13)9-7-5-6-8-10(9)12(14)15/h5-8,11,13H,3-4H2,1-2H3
InChI Key:
NEMXVNVFPBWXGF-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1ccccc1[N+](=O)[O-])O)OCC
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.224g/mol
Monoisotopic Mass:
289.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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