Home Halogens 1-Acetyl-4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazole

1-Acetyl-4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazole

CAS No.:
808764-27-4
Catalog Number:
AG00G5MQ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00G5MQ
Chemical Name:
1-Acetyl-4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CAS Number:
808764-27-4
MDL Number:
MFCD00153623
IUPAC Name:
1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
InChI:
InChI=1S/C7H6ClF3N2O/c1-3-5(8)6(7(9,10)11)12-13(3)4(2)14/h1-2H3
InChI Key:
NERAROFZQWLXHC-UHFFFAOYSA-N
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.012g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.583g/mol
Monoisotopic Mass:
226.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties