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1257554-00-9 | 3H-1,2,3-Triazolo[4,5-b]pyridine, 6-bromo-3-methyl-
CAS No: 1257554-00-9 Catalog No: AG000OMQ MDL No:
Product Description
Catalog Number:
AG000OMQ
Chemical Name:
3H-1,2,3-Triazolo[4,5-b]pyridine, 6-bromo-3-methyl-
CAS Number:
1257554-00-9
Molecular Formula:
C6H5BrN4
Molecular Weight:
213.0347
IUPAC Name:
6-bromo-3-methyltriazolo[4,5-b]pyridine
InChI:
InChI=1S/C6H5BrN4/c1-11-6-5(9-10-11)2-4(7)3-8-6/h2-3H,1H3
InChI Key:
MHWRXBLIXOUVOJ-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)nnn2C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.97g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.038g/mol
Monoisotopic Mass:
211.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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