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Home > Bromides > 1216475-30-7
1216475-30-7 | 1,2,4-Triazolo[4,3-a]pyridine-6-carboxylic acid, 8-bromo-
CAS No: 1216475-30-7 Catalog No: AG0015GZ MDL No:MFCD11846502
Product Description
Catalog Number:
AG0015GZ
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine-6-carboxylic acid, 8-bromo-
CAS Number:
1216475-30-7
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
MDL Number:
MFCD11846502
IUPAC Name:
8-bromo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
InChI:
InChI=1S/C7H4BrN3O2/c8-5-1-4(7(12)13)2-11-3-9-10-6(5)11/h1-3H,(H,12,13)
InChI Key:
HDEOWHVZVQHAPO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c2n(c1)cnn2
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:
1.4
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