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148304-22-7 | Benzoic acid, 4-[(4-methoxyphenyl)amino]-3-nitro-
CAS No: 148304-22-7 Catalog No: AG001FLK MDL No:MFCD00418447
Product Description
Catalog Number:
AG001FLK
Chemical Name:
Benzoic acid, 4-[(4-methoxyphenyl)amino]-3-nitro-
CAS Number:
148304-22-7
Molecular Formula:
C14H12N2O5
Molecular Weight:
288.2555
MDL Number:
MFCD00418447
IUPAC Name:
4-(4-methoxyanilino)-3-nitrobenzoic acid
InChI:
InChI=1S/C14H12N2O5/c1-21-11-5-3-10(4-6-11)15-12-7-2-9(14(17)18)8-13(12)16(19)20/h2-8,15H,1H3,(H,17,18)
InChI Key:
XZJRNDCDKMAJLF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.259g/mol
Monoisotopic Mass:
288.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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