Home Halogens methyl 4-bromo-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate

methyl 4-bromo-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate

CAS No.:
2103703-44-0
Catalog Number:
AG01DQTJ
Molecular Formula:
C6H4BrF3N2O2
Molecular Weight:
273.0074
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Product Description
Catalog Number:
AG01DQTJ
Chemical Name:
methyl 4-bromo-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate
CAS Number:
2103703-44-0
Molecular Formula:
C6H4BrF3N2O2
Molecular Weight:
273.0074
MDL Number:
MFCD26938114
IUPAC Name:
methyl 4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C6H4BrF3N2O2/c1-14-5(13)3-2(7)4(12-11-3)6(8,9)10/h1H3,(H,11,12)
InChI Key:
UBNAAWVCLXVQJV-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]nc(c1Br)C(F)(F)F
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.941g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.009g/mol
Monoisotopic Mass:
271.941g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties