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1134-00-5,MFCD02051257
Catalog No.:AA0008CQ
1134-00-5 | 5-Chloro-3-methyl-1-benzofuran-2-carboxylic acid
Pack Size
Purity
Availability
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Quantity
  
250mg
95%+
2 weeks  
$700.00   $490.00
- +
500mg
95%+
2 weeks  
$943.00   $660.00
- +
1g
95%+
2 weeks  
$1,289.00   $902.00
- +
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Technical Information
Catalog Number:
AA0008CQ
Chemical Name:
5-Chloro-3-methyl-1-benzofuran-2-carboxylic acid
CAS Number:
1134-00-5
Molecular Formula:
C10H7ClO3
Molecular Weight:
210.6138
MDL Number:
MFCD02051257
IUPAC Name:
5-chloro-3-methyl-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C10H7ClO3/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
QEYMIQBZTUQKAC-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(C)c(o2)C(=O)O
Properties
Computed Properties
 
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.008g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.613g/mol
Monoisotopic Mass:
210.008g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
1134-00-5 
5-CHLORO-3-METHYLBENZOFURAN-2-CARBOXYLIC ACID 
Oprea1_736190 
SCHEMBL4615856 
CTK0I3534 
DTXSID60357729 
QEYMIQBZTUQKAC-UHFFFAOYSA-N 
ZINC4206072 
BDBM50424781 
MFCD02051257 
SBB076120 
STK873690 
5-chloro-3-methyl-1-benzofuran-2-carboxylic acid 
AKOS000360099 
MCULE-5792048733 
AJ-48810 
AS-42341 
AB0082593 
ST24044641 
ST45207946 
3-Methyl-5-chlorobenzofuran-2-carboxylic acid 
EN300-13007 
2-Benzofurancarboxylicacid, 5-chloro-3-methyl- 
5-Chloro-3-methyl-benzofuran-2-carboxylic acid 
L-4397 
2-Benzofurancarboxylic acid, 5-chloro-3-methyl- 
J-517351 
Z57789904 
F1673-6877 
5-chloro-3-methyl-benzofuran-2-carboxylic acid, AldrichCPR 
CID865778 
CHEMBL2314505 
5-chloro-3-methylbenzo[b]furan-2-carboxylic acid 
AC1LHMTS 
BAS 12719312 
AC1Q2G9A 
Oprea1_357018 
Literature
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