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Pyraclonil

CAS No.:
158353-15-2
Catalog Number:
AG001Q4N
Molecular Formula:
C15H15ClN6
Molecular Weight:
314.7728
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%
1 week
United States
$612
- +
50mg
98%
1 week
United States
$1793
- +
Product Description
Catalog Number:
AG001Q4N
Chemical Name:
Pyraclonil
CAS Number:
158353-15-2
Molecular Formula:
C15H15ClN6
Molecular Weight:
314.7728
MDL Number:
MFCD11112213
IUPAC Name:
1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-[methyl(prop-2-ynyl)amino]pyrazole-4-carbonitrile
InChI:
InChI=1S/C15H15ClN6/c1-3-7-20(2)15-11(9-17)10-18-22(15)14-13(16)12-6-4-5-8-21(12)19-14/h1,10H,4-8H2,2H3
InChI Key:
IHHMUBRVTJMLQO-UHFFFAOYSA-N
SMILES:
C#CCN(c1c(C#N)cnn1c1nn2c(c1Cl)CCCC2)C
UNII:
6G02KS1S2V
Properties
Complexity:
507  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.105g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.777g/mol
Monoisotopic Mass:
314.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties