Pyrazinecarboxylic acid, 3-chloro-


Chemical Name: Pyrazinecarboxylic acid, 3-chloro-
CAS Number: 27398-39-6
Product Number: AG003JBK(AGN-PC-0K63TR)
Synonyms:
MDL No: MFCD01318438
Molecular Formula: C5H3ClN2O2
Molecular Weight: 158.5425

Identification/Properties


Properties
MP:
116.5-118.5°C
BP:
317 °C at 760 mmHg.
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
158.541g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
157.988g/mol
Monoisotopic Mass:
157.988g/mol
Topological Polar Surface Area:
63.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
142
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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