Home Carboxys 5-Chloro-4-methoxythiophene-3-carboxylic acid

5-Chloro-4-methoxythiophene-3-carboxylic acid

CAS No.:
133659-14-0
Catalog Number:
AG007266
Molecular Formula:
C6H5ClO3S
Molecular Weight:
192.6201
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Product Description
Catalog Number:
AG007266
Chemical Name:
5-Chloro-4-methoxythiophene-3-carboxylic acid
CAS Number:
133659-14-0
Molecular Formula:
C6H5ClO3S
Molecular Weight:
192.6201
MDL Number:
MFCD00067999
IUPAC Name:
5-chloro-4-methoxythiophene-3-carboxylic acid
InChI:
InChI=1S/C6H5ClO3S/c1-10-4-3(6(8)9)2-11-5(4)7/h2H,1H3,(H,8,9)
InChI Key:
CEOFOUVVEMMYDW-UHFFFAOYSA-N
SMILES:
COc1c(Cl)scc1C(=O)O
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.965g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.613g/mol
Monoisotopic Mass:
191.965g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.8A^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