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175202-94-5

175202-94-5 | 2-Thiophenecarboxaldehyde, 5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-

CAS No: 175202-94-5 Catalog No: AG0020HL MDL No:MFCD00052158

Product Description

Catalog Number:
AG0020HL
Chemical Name:
2-Thiophenecarboxaldehyde, 5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-
CAS Number:
175202-94-5
Molecular Formula:
C10H7F3N2OS
Molecular Weight:
260.2356
MDL Number:
MFCD00052158
IUPAC Name:
5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H7F3N2OS/c1-15-7(4-9(14-15)10(11,12)13)8-3-2-6(5-16)17-8/h2-5H,1H3
InChI Key:
ZAZOCQFBLVVZPT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1cc(nn1C)C(F)(F)F

Properties

Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.023g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.234g/mol
Monoisotopic Mass:
260.023g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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