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Home > Bromides > 1020038-96-3
1020038-96-3 | 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 7-bromo-
CAS No: 1020038-96-3 Catalog No: AG0006AT MDL No:
Product Description
Catalog Number:
AG0006AT
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 7-bromo-
CAS Number:
1020038-96-3
Molecular Formula:
C6H4BrN3O
Molecular Weight:
214.0195
IUPAC Name:
7-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
InChI:
InChI=1S/C6H4BrN3O/c7-4-1-2-10-5(3-4)8-9-6(10)11/h1-3H,(H,9,11)
InChI Key:
VTOJFOSPIGCYCX-UHFFFAOYSA-N
SMILES:
Brc1ccn2c(c1)n[nH]c2=O
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.022g/mol
Monoisotopic Mass:
212.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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