Home Halogens 3-trifluoromethyl-1-methyl-1H-5-chloroPyrazole

3-trifluoromethyl-1-methyl-1H-5-chloroPyrazole

CAS No.:
372075-75-7
Catalog Number:
AG00D5K2
Molecular Formula:
C5H4ClF3N2
Molecular Weight:
184.5469
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00D5K2
Chemical Name:
3-trifluoromethyl-1-methyl-1H-5-chloroPyrazole
CAS Number:
372075-75-7
Molecular Formula:
C5H4ClF3N2
Molecular Weight:
184.5469
MDL Number:
MFCD03409451
IUPAC Name:
5-chloro-1-methyl-3-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C5H4ClF3N2/c1-11-4(6)2-3(10-11)5(7,8)9/h2H,1H3
InChI Key:
AXVYNMMTYBGOFD-UHFFFAOYSA-N
SMILES:
FC(c1cc(n(n1)C)Cl)(F)F
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.002g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.546g/mol
Monoisotopic Mass:
184.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties