Home Carboxys 5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid

5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid

CAS No.:
1823489-59-3
Catalog Number:
AG01EHSE
Molecular Formula:
C5H5F3N2O2
Molecular Weight:
182.1006
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Product Description
Catalog Number:
AG01EHSE
Chemical Name:
5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
CAS Number:
1823489-59-3
Molecular Formula:
C5H5F3N2O2
Molecular Weight:
182.1006
MDL Number:
MFCD28140600
IUPAC Name:
5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H5F3N2O2/c6-5(7,8)3-1-2(4(11)12)9-10-3/h3,10H,1H2,(H,11,12)
InChI Key:
PGUBVFPMCYLZSA-UHFFFAOYSA-N
SMILES:
OC(=O)C1=NNC(C1)C(F)(F)F
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.102g/mol
Monoisotopic Mass:
182.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties