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34576-96-0 | 3-Chloro-6-methylbenzo[b]thiophene-2-carboxylic acid
CAS No: 34576-96-0 Catalog No: AG003JA2 MDL No:MFCD00687576
Product Description
Catalog Number:
AG003JA2
Chemical Name:
3-Chloro-6-methylbenzo[b]thiophene-2-carboxylic acid
CAS Number:
34576-96-0
Molecular Formula:
C10H7ClO2S
Molecular Weight:
226.6794
MDL Number:
MFCD00687576
IUPAC Name:
3-chloro-6-methyl-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H7ClO2S/c1-5-2-3-6-7(4-5)14-9(8(6)11)10(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
KWGVHWHFCFSQAZ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)sc(c2Cl)C(=O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.674g/mol
Monoisotopic Mass:
225.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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