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1260855-51-3 | 1H-Pyrazole-4-carboxylic acid, 1-[2-(trifluoromethyl)phenyl]-
CAS No: 1260855-51-3 Catalog No: AG000RFZ MDL No:MFCD15527664
Product Description
Catalog Number:
AG000RFZ
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-[2-(trifluoromethyl)phenyl]-
CAS Number:
1260855-51-3
Molecular Formula:
C11H7F3N2O2
Molecular Weight:
256.1807
MDL Number:
MFCD15527664
IUPAC Name:
1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H7F3N2O2/c12-11(13,14)8-3-1-2-4-9(8)16-6-7(5-15-16)10(17)18/h1-6H,(H,17,18)
InChI Key:
OXANGZLNHGUGLT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)c1ccccc1C(F)(F)F
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.184g/mol
Monoisotopic Mass:
256.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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