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

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

CAS No.:
1520859-32-8
Catalog Number:
AG01DVIU
Molecular Formula:
C3H3BrClN3
Molecular Weight:
196.4330
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Product Description
Catalog Number:
AG01DVIU
Chemical Name:
3-bromo-5-chloro-1-methyl-1H-1,2,4-triazole
CAS Number:
1520859-32-8
Molecular Formula:
C3H3BrClN3
Molecular Weight:
196.4330
MDL Number:
MFCD31617303
IUPAC Name:
3-bromo-5-chloro-1-methyl-1,2,4-triazole
InChI:
InChI=1S/C3H3BrClN3/c1-8-3(5)6-2(4)7-8/h1H3
InChI Key:
MKSXLLNJJAZKBB-UHFFFAOYSA-N
SMILES:
Brc1nn(c(n1)Cl)C
Properties
Complexity:
90.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.92g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.432g/mol
Monoisotopic Mass:
194.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties