Home Other Building Blocks 3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenol

3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenol

CAS No.:
1342026-72-5
Catalog Number:
AG01DVB1
Molecular Formula:
C10H7F3N2O
Molecular Weight:
228.1706
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Product Description
Catalog Number:
AG01DVB1
Chemical Name:
3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenol
CAS Number:
1342026-72-5
Molecular Formula:
C10H7F3N2O
Molecular Weight:
228.1706
MDL Number:
MFCD20326234
IUPAC Name:
3-[3-(trifluoromethyl)pyrazol-1-yl]phenol
InChI:
InChI=1S/C10H7F3N2O/c11-10(12,13)9-4-5-15(14-9)7-2-1-3-8(16)6-7/h1-6,16H
InChI Key:
WRDGJEBUKAOQFH-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)n1ccc(n1)C(F)(F)F
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.174g/mol
Monoisotopic Mass:
228.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties