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1-(oxan-3-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1803598-09-5
Catalog Number:
AG01AUZ3
Molecular Formula:
C10H11F3N2O3
Molecular Weight:
264.2011
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Product Description
Catalog Number:
AG01AUZ3
Chemical Name:
1-(oxan-3-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1803598-09-5
Molecular Formula:
C10H11F3N2O3
Molecular Weight:
264.2011
MDL Number:
MFCD28023725
IUPAC Name:
1-(oxan-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H11F3N2O3/c11-10(12,13)8-7(9(16)17)4-14-15(8)6-2-1-3-18-5-6/h4,6H,1-3,5H2,(H,16,17)
InChI Key:
HVZGSWZNJAIDCJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1C(F)(F)F)C1CCCOC1
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.072g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.204g/mol
Monoisotopic Mass:
264.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties