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1260773-08-7 | 1H-Pyrazole-4-carboxylic acid, 1-[3-(trifluoromethoxy)phenyl]-
CAS No: 1260773-08-7 Catalog No: AG000R7H MDL No:MFCD15527669
Product Description
Catalog Number:
AG000R7H
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-[3-(trifluoromethoxy)phenyl]-
CAS Number:
1260773-08-7
Molecular Formula:
C11H7F3N2O3
Molecular Weight:
272.1801
MDL Number:
MFCD15527669
IUPAC Name:
1-[3-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H7F3N2O3/c12-11(13,14)19-9-3-1-2-8(4-9)16-6-7(5-15-16)10(17)18/h1-6H,(H,17,18)
InChI Key:
QJZRXIHEYXKEMW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)c1cccc(c1)OC(F)(F)F
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.183g/mol
Monoisotopic Mass:
272.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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