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Home Other Building Blocks 5-(4-Bromophenyl)-3-trifluoromethyl-1h-pyrazole

5-(4-Bromophenyl)-3-trifluoromethyl-1h-pyrazole

CAS No.:
219986-65-9
Catalog Number:
AG00C4VA
Molecular Formula:
C10H6BrF3N2
Molecular Weight:
291.0672
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$63
- +
5g
98%
1 week
United States
$149
- +
25g
98%
1 week
United States
$371
- +
Product Description
Catalog Number:
AG00C4VA
Chemical Name:
5-(4-Bromophenyl)-3-trifluoromethyl-1h-pyrazole
CAS Number:
219986-65-9
Molecular Formula:
C10H6BrF3N2
Molecular Weight:
291.0672
MDL Number:
MFCD01312148
IUPAC Name:
3-(4-bromophenyl)-5-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C10H6BrF3N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-5H,(H,15,16)
InChI Key:
IJXYMIRDVATCHK-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1n[nH]c(c1)C(F)(F)F
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.967g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.071g/mol
Monoisotopic Mass:
289.967g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
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