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Home > Nitro Compounds > 1832-64-0
1832-64-0 | Phosphonic acid, P-methyl-, mono(4-nitrophenyl) ester
CAS No: 1832-64-0 Catalog No: AG0027EA MDL No:
Product Description
Catalog Number:
AG0027EA
Chemical Name:
Phosphonic acid, P-methyl-, mono(4-nitrophenyl) ester
CAS Number:
1832-64-0
Molecular Formula:
C7H7NO5P-
Molecular Weight:
216.1079
IUPAC Name:
methyl-(4-nitrophenoxy)phosphinate
InChI:
InChI=1S/C7H8NO5P/c1-14(11,12)13-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,11,12)/p-1
InChI Key:
VJPXTXIEAOSJBR-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1ccc(cc1)OP(=O)(C)[O-]
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.006g/mol
Formal Charge:
-1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.109g/mol
Monoisotopic Mass:
216.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Crystal structure of the complex of a catalytic antibody Fab fragment with a transition state analog: structural similarities in esterase-like catalytic antibodies. | Proceedings of the National Academy of Sciences of the United States of America 19951205 |
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