Home Halogens 4-Amino-5-chlorothiophene-2-carboxylic acid methyl ester

4-Amino-5-chlorothiophene-2-carboxylic acid methyl ester

CAS No.:
89499-44-5
Catalog Number:
AG0087R4
Molecular Formula:
C6H6ClNO2S
Molecular Weight:
191.6353
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$254
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Product Description
Catalog Number:
AG0087R4
Chemical Name:
4-Amino-5-chlorothiophene-2-carboxylic acid methyl ester
CAS Number:
89499-44-5
Molecular Formula:
C6H6ClNO2S
Molecular Weight:
191.6353
MDL Number:
MFCD00508459
IUPAC Name:
methyl 4-amino-5-chlorothiophene-2-carboxylate
InChI:
InChI=1S/C6H6ClNO2S/c1-10-6(9)4-2-3(8)5(7)11-4/h2H,8H2,1H3
InChI Key:
RUAIJHHRCIHFEV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c(s1)Cl)N
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.981g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.629g/mol
Monoisotopic Mass:
190.981g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties