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Home Halogens Methyl 5-chloropyrazine-2-carboxylate

Methyl 5-chloropyrazine-2-carboxylate

CAS No.:
33332-25-1
Catalog Number:
AG003582
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$20
- +
10g
95%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$75
- +
100g
98%
In Stock USA
United States
$225
- +
500g
98%
In Stock USA
United States
$975
- +
Product Description
Catalog Number:
AG003582
Chemical Name:
Methyl 5-chloropyrazine-2-carboxylate
CAS Number:
33332-25-1
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
MDL Number:
MFCD27996773
IUPAC Name:
methyl 5-chloropyrazine-2-carboxylate
InChI:
InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3
InChI Key:
CVVMLRFXZPKILB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(cn1)Cl
NSC Number:
723999
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.004g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.568g/mol
Monoisotopic Mass:
172.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Quantitative structure-activity relationships for the in vitro antimycobacterial activity of pyrazinoic acid esters. Journal of medicinal chemistry 19960816
Pyrazinoic acid esters with broad spectrum in vitro antimycobacterial activity. Journal of medicinal chemistry 19950929
Properties