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Home > Bromides > 1159811-28-5
1159811-28-5 | [1,2,4]Triazolo[1,5-a]pyridine-2-carboxylic acid, 7-bromo-
CAS No: 1159811-28-5 Catalog No: AG000H9W MDL No:
Product Description
Catalog Number:
AG000H9W
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyridine-2-carboxylic acid, 7-bromo-
CAS Number:
1159811-28-5
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
IUPAC Name:
7-bromo-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid
InChI:
InChI=1S/C7H4BrN3O2/c8-4-1-2-11-5(3-4)9-6(10-11)7(12)13/h1-3H,(H,12,13)
InChI Key:
YNFBLDYSSODNMH-UHFFFAOYSA-N
SMILES:
Brc1ccn2c(c1)nc(n2)C(=O)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.949g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.032g/mol
Monoisotopic Mass:
240.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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