Home Carboxys 5-(2-Chlorophenyl)-2-methylfuran-3-carboxylic acid

5-(2-Chlorophenyl)-2-methylfuran-3-carboxylic acid

CAS No.:
4414-49-7
Catalog Number:
AG00DATA
Molecular Formula:
C12H9ClO3
Molecular Weight:
236.6511
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG00DATA
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
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  
Properties