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88353-24-6 | 2H-1-Benzopyran-2-one, 4-[(4-methylphenyl)amino]-3-nitro-
CAS No: 88353-24-6 Catalog No: AG0045SF MDL No:
Product Description
Catalog Number:
AG0045SF
Chemical Name:
2H-1-Benzopyran-2-one, 4-[(4-methylphenyl)amino]-3-nitro-
CAS Number:
88353-24-6
Molecular Formula:
C16H12N2O4
Molecular Weight:
296.2775
IUPAC Name:
4-(4-methylanilino)-3-nitrochromen-2-one
InChI:
InChI=1S/C16H12N2O4/c1-10-6-8-11(9-7-10)17-14-12-4-2-3-5-13(12)22-16(19)15(14)18(20)21/h2-9,17H,1H3
InChI Key:
XWRHEBCJNDJWBE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1c([N+](=O)[O-])c(=O)oc2c1cccc2
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.282g/mol
Monoisotopic Mass:
296.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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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