Home Other Building Blocks (1-Methyl-3-(trifluoromethyl)-1h-pyrazol-4-yl)methanol

(1-Methyl-3-(trifluoromethyl)-1h-pyrazol-4-yl)methanol

CAS No.:
540468-96-0
Catalog Number:
AG00DF30
Molecular Formula:
C6H7F3N2O
Molecular Weight:
180.1278
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$262
- +
5g
1 week
United States
$706
- +
Product Description
Catalog Number:
AG00DF30
Chemical Name:
(1-Methyl-3-(trifluoromethyl)-1h-pyrazol-4-yl)methanol
CAS Number:
540468-96-0
Molecular Formula:
C6H7F3N2O
Molecular Weight:
180.1278
MDL Number:
MFCD09040887
IUPAC Name:
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
InChI:
InChI=1S/C6H7F3N2O/c1-11-2-4(3-12)5(10-11)6(7,8)9/h2,12H,3H2,1H3
InChI Key:
JJYUUFIIBBRUQV-UHFFFAOYSA-N
SMILES:
OCc1cn(nc1C(F)(F)F)C
Properties
Complexity:
161  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
180.13g/mol
Monoisotopic Mass:
180.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties