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Home Carbonyls 1-Methyl-3-(trifluoromethyl)-1h-pyrazole-4-carbonyl chloride

1-Methyl-3-(trifluoromethyl)-1h-pyrazole-4-carbonyl chloride

CAS No.:
126674-98-4
Catalog Number:
AG000T31
Molecular Formula:
C6H4ClF3N2O
Molecular Weight:
212.5570
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$150
- +
5g
1 week
United States
$373
- +
Product Description
Catalog Number:
AG000T31
Chemical Name:
1-Methyl-3-(trifluoromethyl)-1h-pyrazole-4-carbonyl chloride
CAS Number:
126674-98-4
Molecular Formula:
C6H4ClF3N2O
Molecular Weight:
212.5570
MDL Number:
MFCD04115394
IUPAC Name:
1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
InChI:
InChI=1S/C6H4ClF3N2O/c1-12-2-3(5(7)13)4(11-12)6(8,9)10/h2H,1H3
InChI Key:
KFKVECZQALNWSR-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C(F)(F)F)C(=O)Cl
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.996g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.556g/mol
Monoisotopic Mass:
211.996g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties