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882248-22-8,MFCD06496344
Catalog No.:AA008B69
882248-22-8 | (5-CHLORO-4,6-DIMETHYL-1-BENZOFURAN-3-YL)ACETIC ACID
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1g
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Technical Information
Catalog Number:
AA008B69
Chemical Name:
(5-CHLORO-4,6-DIMETHYL-1-BENZOFURAN-3-YL)ACETIC ACID
CAS Number:
882248-22-8
Molecular Formula:
C12H11ClO3
Molecular Weight:
238.6669
MDL Number:
MFCD06496344
IUPAC Name:
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetic acid
InChI:
InChI=1S/C12H11ClO3/c1-6-3-9-11(7(2)12(6)13)8(5-16-9)4-10(14)15/h3,5H,4H2,1-2H3,(H,14,15)
InChI Key:
WDYKMPBNUTVXOM-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1coc2c1c(C)c(c(c2)C)Cl
Properties
Computed Properties
 
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.04g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.667g/mol
Monoisotopic Mass:
238.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
882248-22-8 
(5-CHLORO-4,6-DIMETHYL-1-BENZOFURAN-3-YL)ACETIC ACID 
ZX-CM005389 
AKOS BBS-00000408 
MFCD06496344 
AKOS000268266 
MCULE-6033855962 
AJ-48167 
BB0264438 
ST50160320 
Y-2266 
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetic acid 
SBB038300 
CID4736819 
2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetic Acid 
2-(5-chloro-4,6-dimethylbenzo[b]furan-3-yl)acetic acid 
AC1NH9YU 
2-(5-Chloro-4,6-dimethylbenzofuran-3-yl)acetic acid 
CTK5F9530 
DTXSID20406085 
ZINC4137159 
ZX-AL000512 
Literature
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