93618-30-5
3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-5-CARBOXYLIC ACID
Name3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-5-CARBOXYLIC ACID
pro_formulaC11 H7 F3 N2 O2
1Identification
【Name】
3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09749429
【EnglishSynonyms】
【pro_formula】
C11 H7 F3 N2 O2
【pro_molWeight】
256.182
【Inchi】
InChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-2-6(4-7)8-5-9(10(17)18)16-15-8/h1-5H,(H,15,16)(H,17,18)
【InChIKey】
InChIKey=BHWWKCLKEDCOEF-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(F)(F)F)c2cc([nH]n2)C(=O)O
【MOL File】
3-[3-(TRIFLUOROMETHY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-5-CARBOXYLIC ACID.cml