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187867-21-6 | 3H-Pyrazolo[1,5-b][1,2,4]triazole, 7-bromo-2,6-dimethyl-
CAS No: 187867-21-6 Catalog No: AG002GJ3 MDL No:
Product Description
Catalog Number:
AG002GJ3
Chemical Name:
3H-Pyrazolo[1,5-b][1,2,4]triazole, 7-bromo-2,6-dimethyl-
CAS Number:
187867-21-6
Molecular Formula:
C6H7BrN4
Molecular Weight:
215.0506
IUPAC Name:
7-bromo-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole
InChI:
InChI=1S/C6H7BrN4/c1-3-5(7)6-8-4(2)10-11(6)9-3/h9H,1-2H3
InChI Key:
WUAVYYAHNCWVTI-UHFFFAOYSA-N
SMILES:
Cc1nc2n([nH]1)nc(c2Br)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.985g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.054g/mol
Monoisotopic Mass:
213.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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