200,000+ products from a single source!
sales@angenechem.com
120068-79-3 | 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-
CAS No: 120068-79-3 Catalog No: AG000Q7Z MDL No:MFCD00227537
Product Description
Catalog Number:
AG000Q7Z
Chemical Name:
1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-
CAS Number:
120068-79-3
Molecular Formula:
C11H5Cl2F3N4
Molecular Weight:
321.0854
MDL Number:
MFCD00227537
IUPAC Name:
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
InChI:
InChI=1S/C11H5Cl2F3N4/c12-7-1-5(11(14,15)16)2-8(13)10(7)20-9(18)3-6(4-17)19-20/h1-3H,18H2
InChI Key:
QPZYPAMYHBOUTC-UHFFFAOYSA-N
SMILES:
N#Cc1nn(c(c1)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.984g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.084g/mol
Monoisotopic Mass:
319.984g/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
Literature
| Title | Journal |
|---|---|
| 2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoro-meth-yl)phen-yl]-1H-pyrazol-5-yl}acetamide. | Acta crystallographica. Section E, Structure reports online 20120101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.