Home Halogens 5-bromo-1-methyl-4-(trifluoromethyl)-1H-pyrazole

5-bromo-1-methyl-4-(trifluoromethyl)-1H-pyrazole

CAS No.:
1783749-68-7
Catalog Number:
AG01B76L
Molecular Formula:
C5H4BrF3N2
Molecular Weight:
228.9979
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Product Description
Catalog Number:
AG01B76L
Chemical Name:
5-bromo-1-methyl-4-(trifluoromethyl)-1H-pyrazole
CAS Number:
1783749-68-7
Molecular Formula:
C5H4BrF3N2
Molecular Weight:
228.9979
MDL Number:
MFCD26516243
IUPAC Name:
5-bromo-1-methyl-4-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C5H4BrF3N2/c1-11-4(6)3(2-10-11)5(7,8)9/h2H,1H3
InChI Key:
ZOCNGCZWIOOWRP-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1Br)C(F)(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:
227.951g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229g/mol
Monoisotopic Mass:
227.951g/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  
Properties