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4414-49-7,MFCD08691895
Catalog No.:AA00DAQI
4414-49-7 | 5-(2-Chlorophenyl)-2-methylfuran-3-carboxylic acid
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1g
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$74.00   $52.00
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Technical Information
Catalog Number:
AA00DAQI
Chemical Name:
5-(2-Chlorophenyl)-2-methylfuran-3-carboxylic acid
CAS Number:
4414-49-7
Molecular Formula:
C12H9ClO3
Molecular Weight:
236.6511
MDL Number:
MFCD08691895
IUPAC Name:
5-(2-chlorophenyl)-2-methylfuran-3-carboxylic acid
InChI:
InChI=1S/C12H9ClO3/c1-7-9(12(14)15)6-11(16-7)8-4-2-3-5-10(8)13/h2-6H,1H3,(H,14,15)
InChI Key:
KJXIJANIURSGHF-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1oc(c(c1)C(=O)O)C
Properties
Computed Properties
 
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.024g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.651g/mol
Monoisotopic Mass:
236.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
5-(2-chlorophenyl)-2-methylfuran-3-carboxylic acid 
4414-49-7 
ANW-73089 
MFCD08691895 
AKOS016008515 
ACM4414497 
AJ-56042 
AX8242025 
TC-161834 
Y-4533 
C12H9ClO3 
CID4237243 
CHEMBRDG-BB 9070679 
5-(2-chlorophenyl)-2-methyl-furan-3-carboxylic Acid 
5-(2-CHLOROPHENYL)-2-METHYL-3-FUROIC ACID 
AC1N6MJG 
CTK4I7999 
DTXSID40401113 
ZINC6279951 
ZX-CM017926 
6084AB 
Literature
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