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147816-59-9 | Benzoic acid, 2-nitro-5-[(2-phenoxyacetyl)amino]-
CAS No: 147816-59-9 Catalog No: AG001F8Q MDL No:
Product Description
Catalog Number:
AG001F8Q
Chemical Name:
Benzoic acid, 2-nitro-5-[(2-phenoxyacetyl)amino]-
CAS Number:
147816-59-9
Molecular Formula:
C15H12N2O6
Molecular Weight:
316.2656
IUPAC Name:
2-nitro-5-[(2-phenoxyacetyl)amino]benzoic acid
InChI:
InChI=1S/C15H12N2O6/c18-14(9-23-11-4-2-1-3-5-11)16-10-6-7-13(17(21)22)12(8-10)15(19)20/h1-8H,9H2,(H,16,18)(H,19,20)
InChI Key:
OYNOHTMIBKCONX-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)C(=O)O)[N+](=O)[O-])COc1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.07g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.269g/mol
Monoisotopic Mass:
316.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Purification and characterization of YxeI, a penicillin acylase from Bacillus subtilis. | International journal of biological macromolecules 20120101 |
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