200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 126674-98-4
126674-98-4 | 1H-Pyrazole-4-carbonyl chloride, 1-methyl-3-(trifluoromethyl)-
CAS No: 126674-98-4 Catalog No: AG000T31 MDL No:MFCD04115394
Product Description
Catalog Number:
AG000T31
Chemical Name:
1H-Pyrazole-4-carbonyl chloride, 1-methyl-3-(trifluoromethyl)-
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.