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

3-bromo-4,5-dimethyl-4H-1,2,4-triazole

CAS No.:
56616-84-3
Catalog Number:
AG01BGRT
Molecular Formula:
C4H6BrN3
Molecular Weight:
176.0145
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Product Description
Catalog Number:
AG01BGRT
Chemical Name:
3-bromo-4,5-dimethyl-4H-1,2,4-triazole
CAS Number:
56616-84-3
Molecular Formula:
C4H6BrN3
Molecular Weight:
176.0145
MDL Number:
MFCD26679013
IUPAC Name:
3-bromo-4,5-dimethyl-1,2,4-triazole
InChI:
InChI=1S/C4H6BrN3/c1-3-6-7-4(5)8(3)2/h1-2H3
InChI Key:
SSCGHVSAPLUMAF-UHFFFAOYSA-N
SMILES:
Cc1nnc(n1C)Br
Properties
Complexity:
87.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.975g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.017g/mol
Monoisotopic Mass:
174.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties