Home Halogens 1-(4-bromophenyl)-5-chloro-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

1-(4-bromophenyl)-5-chloro-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1152979-18-4
Catalog Number:
AG01DTN1
Molecular Formula:
C11H5BrClF3N2O2
Molecular Weight:
369.5218
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$70
- +
250mg
95%
In Stock USA
United States
$126
- +
1g
95%
In Stock USA
United States
$220
- +
Product Description
Catalog Number:
AG01DTN1
Chemical Name:
1-(4-bromophenyl)-5-chloro-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1152979-18-4
Molecular Formula:
C11H5BrClF3N2O2
Molecular Weight:
369.5218
MDL Number:
MFCD13656006
IUPAC Name:
1-(4-bromophenyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H5BrClF3N2O2/c12-5-1-3-6(4-2-5)18-9(13)7(10(19)20)8(17-18)11(14,15)16/h1-4H,(H,19,20)
InChI Key:
YHCQSKLBUCOCPL-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1nc(c(c1Cl)C(=O)O)C(F)(F)F
Properties
Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.918g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
369.522g/mol
Monoisotopic Mass:
367.918g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties