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Home > Nitro Compounds > 119401-65-9
119401-65-9 | Phosphoramidic acid, ethyl 4-nitrophenyl ester
CAS No: 119401-65-9 Catalog No: AG000IQF MDL No:
Product Description
Catalog Number:
AG000IQF
Chemical Name:
Phosphoramidic acid, ethyl 4-nitrophenyl ester
CAS Number:
119401-65-9
Molecular Formula:
C8H11N2O5P
Molecular Weight:
246.1571
IUPAC Name:
1-[amino(ethoxy)phosphoryl]oxy-4-nitrobenzene
InChI:
InChI=1S/C8H11N2O5P/c1-2-14-16(9,13)15-8-5-3-7(4-6-8)10(11)12/h3-6H,2H2,1H3,(H2,9,13)
InChI Key:
KUBWJGWIWGGEPZ-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])N
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.159g/mol
Monoisotopic Mass:
246.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Extracellular nucleotides block bone mineralization in vitro: evidence for dual inhibitory mechanisms involving both P2Y2 receptors and pyrophosphate. | Endocrinology 20070901 |
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