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477710-13-7 | (E)-N-(3,5-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethanecarbohydrazonoyl cyanide
CAS No: 477710-13-7 Catalog No: AG00IXM3 MDL No:MFCD02102374
Product Description
Catalog Number:
AG00IXM3
Chemical Name:
(E)-N-(3,5-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethanecarbohydrazonoyl cyanide
CAS Number:
477710-13-7
Molecular Formula:
C14H11Cl2N5O
Molecular Weight:
336.1760
MDL Number:
MFCD02102374
IUPAC Name:
(1E)-N-(3,5-dichloroanilino)-2-(3,5-dimethylpyrazol-1-yl)-2-oxoethanimidoyl cyanide
InChI:
InChI=1S/C14H11Cl2N5O/c1-8-3-9(2)21(20-8)14(22)13(7-17)19-18-12-5-10(15)4-11(16)6-12/h3-6,18H,1-2H3/b19-13+
InChI Key:
FKLPICSKIBQBSQ-CPNJWEJPSA-N
SMILES:
N#C/C(=N\Nc1cc(Cl)cc(c1)Cl)/C(=O)n1nc(cc1C)C
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
335.034g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.176g/mol
Monoisotopic Mass:
335.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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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