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27398-39-6 | 3-Chloropyrazine-2-carboxylic acid
CAS No: 27398-39-6 Catalog No: AG003JBK MDL No:MFCD01318438
Product Description
Catalog Number:
AG003JBK
Chemical Name:
3-Chloropyrazine-2-carboxylic acid
CAS Number:
27398-39-6
Molecular Formula:
C5H3ClN2O2
Molecular Weight:
158.5425
MDL Number:
MFCD01318438
IUPAC Name:
3-chloropyrazine-2-carboxylic acid
InChI:
InChI=1S/C5H3ClN2O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H,9,10)
InChI Key:
PMRPVXLESNMKLG-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccnc1Cl
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:
0.6
Literature
| Title | Journal |
|---|---|
| Antimicrobial evaluation of some arylsulfanylpyrazinecarboxylic acid derivatives. | Medicinal chemistry (Shariqah (United Arab Emirates)) 20070501 |
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