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Home > Nitro Compounds > 403668-52-0
403668-52-0 | 2-[4-(morpholin-4-yl)-3-nitrobenzoyl]benzoic acid
CAS No: 403668-52-0 Catalog No: AG00IR30 MDL No:MFCD02221064
Product Description
Catalog Number:
AG00IR30
Chemical Name:
2-[4-(morpholin-4-yl)-3-nitrobenzoyl]benzoic acid
CAS Number:
403668-52-0
Molecular Formula:
C18H16N2O6
Molecular Weight:
356.3294
MDL Number:
MFCD02221064
IUPAC Name:
2-(4-morpholin-4-yl-3-nitrobenzoyl)benzoic acid
InChI:
InChI=1S/C18H16N2O6/c21-17(13-3-1-2-4-14(13)18(22)23)12-5-6-15(16(11-12)20(24)25)19-7-9-26-10-8-19/h1-6,11H,7-10H2,(H,22,23)
InChI Key:
KLRJSIVPZCZZFV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N1CCOCC1)C(=O)c1ccccc1C(=O)O
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.101g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.334g/mol
Monoisotopic Mass:
356.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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