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34576-96-0,MFCD00687576
Catalog No.:AA003J7A
34576-96-0 | 3-Chloro-6-methylbenzo[b]thiophene-2-carboxylic acid
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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$58.00   $40.00
- +
5g
95%
in stock  
$185.00   $129.00
- +
25g
95%
in stock  
$889.00   $623.00
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003J7A
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
Computed 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  

Synonyms
 
34576-96-0 
3-Chloro-6-methylbenzo[b]thiophene-2-carboxylic acid 
AC1LG5P5 
AC1Q2O1Q 
SCHEMBL417349 
CTK1C0981 
DTXSID10355679 
KWGVHWHFCFSQAZ-UHFFFAOYSA-N 
ZINC327857 
ACT07951 
ALBB-000953 
4179AB 
3-chloro-6-methyl-1-benzothiophene-2-carboxylic acid 
BBL013609 
BDBM50424723 
CCG-10571 
GEO-00712 
MFCD00687576 
SBB006957 
STK372259 
AKOS000267335 
MCULE-3549045158 
AJ-19267 
3-Chloro-6-methylbenzothiophene-2-carboxylic acid 
BIM-0023181.P001 
TR-042127 
ST24042076 
ST45231718 
EN300-69909 
W-7481 
3-CHLORO-6-METHYLBENZO(B)THIOPHENE-2-CA& 
AG-690/36719028 
SR-01000412394 
3-Chloro-6-methylbenzo thiophene-2-carboxylic acid 
3-Chloro-6-methyl-benzo[b]thiophene-2-carboxylic acid 
SR-01000412394-1 
W-200316 
3-chloro-6-methylbenzo [b]thiophene-2-carboxylic acid 
3-chloro-6-methylbenzo[b]thio-phene-2-carboxylic acid 
I01-18663 
Benzo[b]thiophene-2-carboxylicacid, 3-chloro-6-methyl- 
Z228588844 
3-Chloro-6-methylbenzo[b]thiophene-2-carboxylic acid, 97% 
5539-78-6 
C10H7ClO2S 
CHEMBL2314523 
AR-1F2657 
CID815185 
ACN-025251 
3-CHLORO-6-METHYLBENZO THIOPHENE-2-CA& 
3-Chloro-6-methylbenzo[b]thiophene-2-carboxylicacid 
55807-83-5 
N/A 
BAS 01213367 
ACMC-20an6a 
AC1Q3LGR 
CBMicro_023300 
Literature
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