Home Halogens 3-Thiophenecarboxylic acid, 2-chloro-, methyl ester

3-Thiophenecarboxylic acid, 2-chloro-, methyl ester

CAS No.:
76360-42-4
Catalog Number:
AG00ICQE
Molecular Formula:
C6H5ClO2S
Molecular Weight:
176.6207
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Product Description
Catalog Number:
AG00ICQE
Chemical Name:
3-Thiophenecarboxylic acid, 2-chloro-, methyl ester
CAS Number:
76360-42-4
Molecular Formula:
C6H5ClO2S
Molecular Weight:
176.6207
MDL Number:
MFCD14698135
IUPAC Name:
methyl 2-chlorothiophene-3-carboxylate
InChI:
InChI=1S/C6H5ClO2S/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,1H3
InChI Key:
GVIPSISZNQFLRF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccsc1Cl
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.97g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.614g/mol
Monoisotopic Mass:
175.97g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties