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36070-80-1 | 5-Chloropyrazine-2-carboxylic acid
CAS No: 36070-80-1 Catalog No: AG003MOR MDL No:MFCD09033269
Product Description
Catalog Number:
AG003MOR
Chemical Name:
5-Chloropyrazine-2-carboxylic acid
CAS Number:
36070-80-1
Molecular Formula:
C5H3ClN2O2
Molecular Weight:
158.5425
MDL Number:
MFCD09033269
IUPAC Name:
5-chloropyrazine-2-carboxylic acid
InChI:
InChI=1S/C5H3ClN2O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H,9,10)
InChI Key:
FXJOTWLLDJYKAG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(cn1)Cl
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.988g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.541g/mol
Monoisotopic Mass:
157.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| In vitro antimycobacterial activity of 5-chloropyrazinamide. | Antimicrobial agents and chemotherapy 19980201 |
| Pyrazinoic acid esters with broad spectrum in vitro antimycobacterial activity. | Journal of medicinal chemistry 19950929 |
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