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1214379-28-8 | 3-Thiophenecarboxylic acid, 2-chloro-, ethyl ester
CAS No: 1214379-28-8 Catalog No: AG0014XR MDL No:
Product Description
Catalog Number:
AG0014XR
Chemical Name:
3-Thiophenecarboxylic acid, 2-chloro-, ethyl ester
CAS Number:
1214379-28-8
Molecular Formula:
C7H7ClO2S
Molecular Weight:
190.6473
IUPAC Name:
ethyl 2-chlorothiophene-3-carboxylate
InChI:
InChI=1S/C7H7ClO2S/c1-2-10-7(9)5-3-4-11-6(5)8/h3-4H,2H2,1H3
InChI Key:
SZFNBOZFFBTWLL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccsc1Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.986g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.641g/mol
Monoisotopic Mass:
189.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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