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26557-90-4 | 1H-1,2,4-Triazole, 5-bromo-3-methyl-
CAS No: 26557-90-4 Catalog No: AG002TP8 MDL No:MFCD13188583
Product Description
Catalog Number:
AG002TP8
Chemical Name:
1H-1,2,4-Triazole, 5-bromo-3-methyl-
CAS Number:
26557-90-4
Molecular Formula:
C3H4BrN3
Molecular Weight:
161.9880
MDL Number:
MFCD13188583
IUPAC Name:
3-bromo-5-methyl-1H-1,2,4-triazole
InChI:
InChI=1S/C3H4BrN3/c1-2-5-3(4)7-6-2/h1H3,(H,5,6,7)
InChI Key:
BMTIGKUJWSEHHI-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(n1)Br
Properties
Complexity:
67.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.959g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.99g/mol
Monoisotopic Mass:
160.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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