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1159831-80-7 | 1,2,4-Triazolo[4,3-a]pyridine-3-carboxylic acid, 8-chloro-
CAS No: 1159831-80-7 Catalog No: AG000HD5 MDL No:MFCD12401439
Product Description
Catalog Number:
AG000HD5
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine-3-carboxylic acid, 8-chloro-
CAS Number:
1159831-80-7
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD12401439
IUPAC Name:
8-chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H4ClN3O2/c8-4-2-1-3-11-5(4)9-10-6(11)7(12)13/h1-3H,(H,12,13)
InChI Key:
GYWXVFKDBCHREY-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnc2n1cccc2Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.578g/mol
Monoisotopic Mass:
196.999g/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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