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Home > Nitro Compounds > 477710-19-3
477710-19-3 | (E)-N-(2-nitrophenyl)-2-oxo-2-(3,4,5-trimethyl-1H-pyrazol-1-yl)ethanecarbohydrazonoyl cyanide
CAS No: 477710-19-3 Catalog No: AG00IOIU MDL No:MFCD02102388
Product Description
Catalog Number:
AG00IOIU
Chemical Name:
(E)-N-(2-nitrophenyl)-2-oxo-2-(3,4,5-trimethyl-1H-pyrazol-1-yl)ethanecarbohydrazonoyl cyanide
CAS Number:
477710-19-3
Molecular Formula:
C15H14N6O3
Molecular Weight:
326.3101
MDL Number:
MFCD02102388
IUPAC Name:
(1E)-N-(2-nitroanilino)-2-oxo-2-(3,4,5-trimethylpyrazol-1-yl)ethanimidoyl cyanide
InChI:
InChI=1S/C15H14N6O3/c1-9-10(2)19-20(11(9)3)15(22)13(8-16)18-17-12-6-4-5-7-14(12)21(23)24/h4-7,17H,1-3H3/b18-13+
InChI Key:
CCVQMQINCJUVSY-QGOAFFKASA-N
SMILES:
N#C/C(=N\Nc1ccccc1[N+](=O)[O-])/C(=O)n1nc(c(c1C)C)C
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
326.113g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.316g/mol
Monoisotopic Mass:
326.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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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