Home Aldehydes 3-(Difluoromethyl)-5-hydroxy-1-methyl-1H-pyrazole-4-carbaldehyde

3-(Difluoromethyl)-5-hydroxy-1-methyl-1H-pyrazole-4-carbaldehyde

CAS No.:
1203145-73-6
Catalog Number:
AG008UIG
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$178
- +
5g
1 week
United States
$595
- +
25g
1 week
United States
$2262
- +
Product Description
Catalog Number:
AG008UIG
Chemical Name:
3-(Difluoromethyl)-5-hydroxy-1-methyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1203145-73-6
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
MDL Number:
MFCD12827695
IUPAC Name:
5-(difluoromethyl)-2-methyl-3-oxo-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C6H6F2N2O2/c1-10-6(12)3(2-11)4(9-10)5(7)8/h2,5,9H,1H3
InChI Key:
PUBXARXUPRDAAQ-UHFFFAOYSA-N
SMILES:
O=Cc1c(nn(c1O)C)C(F)F
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.123g/mol
Monoisotopic Mass:
176.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties