8-Bromo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid


Chemical Name: 8-Bromo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CAS Number: 1216475-30-7
Product Number: AG0015GZ(AGN-PC-0WAMNR)
Synonyms:
MDL No: MFCD11846502
Molecular Formula: C7H4BrN3O2
Molecular Weight: 242.0296

Identification/Properties


Computed Properties
Molecular Weight:
242.032g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
240.949g/mol
Monoisotopic Mass:
240.949g/mol
Topological Polar Surface Area:
67.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
226
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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