Home Other Building Blocks 2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol

2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol

CAS No.:
185853-85-4
Catalog Number:
AG019KXT
Molecular Formula:
C6H7F3N2O
Molecular Weight:
180.1278
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Product Description
Catalog Number:
AG019KXT
Chemical Name:
2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CAS Number:
185853-85-4
Molecular Formula:
C6H7F3N2O
Molecular Weight:
180.1278
MDL Number:
MFCD07779815
IUPAC Name:
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
InChI:
InChI=1S/C6H7F3N2O/c7-6(8,9)5-4(1-2-12)3-10-11-5/h3,12H,1-2H2,(H,10,11)
InChI Key:
LCGDQQZYWOMJAW-UHFFFAOYSA-N
SMILES:
OCCc1c[nH]nc1C(F)(F)F
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.051g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.13g/mol
Monoisotopic Mass:
180.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties