Home Halogens 4-(4-bromo-2-fluorophenyl)-3-chloro-5-methyl-4H-1,2,4-triazole

4-(4-bromo-2-fluorophenyl)-3-chloro-5-methyl-4H-1,2,4-triazole

CAS No.:
1342515-21-2
Catalog Number:
AG01A2SR
Molecular Formula:
C9H6BrClFN3
Molecular Weight:
290.5194
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Product Description
Catalog Number:
AG01A2SR
Chemical Name:
4-(4-bromo-2-fluorophenyl)-3-chloro-5-methyl-4H-1,2,4-triazole
CAS Number:
1342515-21-2
Molecular Formula:
C9H6BrClFN3
Molecular Weight:
290.5194
MDL Number:
MFCD18345961
IUPAC Name:
4-(4-bromo-2-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole
InChI:
InChI=1S/C9H6BrClFN3/c1-5-13-14-9(11)15(5)8-3-2-6(10)4-7(8)12/h2-4H,1H3
InChI Key:
QDCHWWRAUIIXDW-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)n1c(C)nnc1Cl
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.942g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.52g/mol
Monoisotopic Mass:
288.942g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties