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1415968-73-8 | Benzo[b]thiophene-2-carboxylic acid, 4-chloro-3-methyl-, methyl ester
CAS No: 1415968-73-8 Catalog No: AG001GNA MDL No:
Product Description
Catalog Number:
AG001GNA
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 4-chloro-3-methyl-, methyl ester
CAS Number:
1415968-73-8
Molecular Formula:
C11H9ClO2S
Molecular Weight:
240.7060
IUPAC Name:
methyl 4-chloro-3-methyl-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C11H9ClO2S/c1-6-9-7(12)4-3-5-8(9)15-10(6)11(13)14-2/h3-5H,1-2H3
InChI Key:
KESJJOKEOXAERJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1C)c(Cl)ccc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.701g/mol
Monoisotopic Mass:
240.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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