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80025-46-3 | 1H-Pyrazole-4-carbonitrile,5-amino-1-(2,3,4-trichlorophenyl)-
CAS No: 80025-46-3 Catalog No: AG005DRM MDL No:
Product Description
Catalog Number:
AG005DRM
Chemical Name:
1H-Pyrazole-4-carbonitrile,5-amino-1-(2,3,4-trichlorophenyl)-
CAS Number:
80025-46-3
Molecular Formula:
C10H5Cl3N4
Molecular Weight:
287.5325
IUPAC Name:
5-amino-1-(2,3,4-trichlorophenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C10H5Cl3N4/c11-6-1-2-7(9(13)8(6)12)17-10(15)5(3-14)4-16-17/h1-2,4H,15H2
InChI Key:
DBFMKRVPJIOMHQ-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)c1ccc(c(c1Cl)Cl)Cl
EC Number:
279-369-7
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.958g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.528g/mol
Monoisotopic Mass:
285.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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