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23145-68-8 | Benzoic acid, 2-[acetyl[(3-methoxy-4-nitrophenyl)methyl]amino]-
CAS No: 23145-68-8 Catalog No: AG002MCM MDL No:
Product Description
Catalog Number:
AG002MCM
Chemical Name:
Benzoic acid, 2-[acetyl[(3-methoxy-4-nitrophenyl)methyl]amino]-
CAS Number:
23145-68-8
Molecular Formula:
C17H16N2O6
Molecular Weight:
344.3187
IUPAC Name:
2-[acetyl-[(3-methoxy-4-nitrophenyl)methyl]amino]benzoic acid
InChI:
InChI=1S/C17H16N2O6/c1-11(20)18(14-6-4-3-5-13(14)17(21)22)10-12-7-8-15(19(23)24)16(9-12)25-2/h3-9H,10H2,1-2H3,(H,21,22)
InChI Key:
ITRLDTOVWKVTOJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])CN(c1ccccc1C(=O)O)C(=O)C
NSC Number:
124446
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.101g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.323g/mol
Monoisotopic Mass:
344.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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