Home Other Building Blocks 1-(trifluoromethyl)-1H-pyrazole

1-(trifluoromethyl)-1H-pyrazole

CAS No.:
169382-91-6
Catalog Number:
AG01B7XZ
Molecular Formula:
C4H3F3N2
Molecular Weight:
136.0752
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Product Description
Catalog Number:
AG01B7XZ
Chemical Name:
1-(trifluoromethyl)-1H-pyrazole
CAS Number:
169382-91-6
Molecular Formula:
C4H3F3N2
Molecular Weight:
136.0752
MDL Number:
MFCD28013126
IUPAC Name:
1-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C4H3F3N2/c5-4(6,7)9-3-1-2-8-9/h1-3H
InChI Key:
JDCLOWORQIDWQP-UHFFFAOYSA-N
SMILES:
FC(n1cccn1)(F)F
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.025g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.077g/mol
Monoisotopic Mass:
136.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties