Home Halogens 5-chloro-3-oxo-3,4-dihydropyrazine-2-carboxylic acid

5-chloro-3-oxo-3,4-dihydropyrazine-2-carboxylic acid

CAS No.:
150718-29-9
Catalog Number:
AG01DF4H
Molecular Formula:
C5H3ClN2O3
Molecular Weight:
174.5419
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Product Description
Catalog Number:
AG01DF4H
Chemical Name:
5-chloro-3-oxo-3,4-dihydropyrazine-2-carboxylic acid
CAS Number:
150718-29-9
Molecular Formula:
C5H3ClN2O3
Molecular Weight:
174.5419
MDL Number:
MFCD15144424
IUPAC Name:
6-chloro-2-oxo-1H-pyrazine-3-carboxylic acid
InChI:
InChI=1S/C5H3ClN2O3/c6-2-1-7-3(5(10)11)4(9)8-2/h1H,(H,8,9)(H,10,11)
InChI Key:
AVFMENMETODLQX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc([nH]c1=O)Cl
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.983g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
174.54g/mol
Monoisotopic Mass:
173.983g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties