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Home > Bromides > 1159831-50-1
1159831-50-1 | 7-Bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
CAS No: 1159831-50-1 Catalog No: AG01F7EV MDL No:
Product Description
Catalog Number:
AG01F7EV
Chemical Name:
7-Bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
CAS Number:
1159831-50-1
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
IUPAC Name:
7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H4BrN3O2/c8-4-1-2-11-5(3-4)9-10-6(11)7(12)13/h1-3H,(H,12,13)
InChI Key:
VNFUVTRWQVNKQY-UHFFFAOYSA-N
SMILES:
Brc1ccn2c(c1)nnc2C(=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:
1.7
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