Home Carboxys 1-(pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid hydrochloride

1-(pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid hydrochloride

CAS No.:
2031268-82-1
Catalog Number:
AG01B774
Molecular Formula:
C10H7ClF3N3O2
Molecular Weight:
293.6297
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Product Description
Catalog Number:
AG01B774
Chemical Name:
1-(pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid hydrochloride
CAS Number:
2031268-82-1
Molecular Formula:
C10H7ClF3N3O2
Molecular Weight:
293.6297
MDL Number:
MFCD30345166
IUPAC Name:
1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H6F3N3O2.ClH/c11-10(12,13)8-6(9(17)18)5-15-16(8)7-3-1-2-4-14-7;/h1-5H,(H,17,18);1H
InChI Key:
UAVCMEYXLBCROK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1C(F)(F)F)c1ccccn1.Cl
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.018g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
293.63g/mol
Monoisotopic Mass:
293.018g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties