Home Carboxys 3-[(4-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid

3-[(4-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid

CAS No.:
339009-58-4
Catalog Number:
AG00CA3P
Molecular Formula:
C12H9ClO3S
Molecular Weight:
268.7161
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 99%
1 week
United States
$129
- +
1g
≥ 99%
1 week
United States
$219
- +
Product Description
Catalog Number:
AG00CA3P
Chemical Name:
3-[(4-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid
CAS Number:
339009-58-4
Molecular Formula:
C12H9ClO3S
Molecular Weight:
268.7161
MDL Number:
MFCD00173490
IUPAC Name:
3-[(4-chlorophenyl)methoxy]thiophene-2-carboxylic acid
InChI:
InChI=1S/C12H9ClO3S/c13-9-3-1-8(2-4-9)7-16-10-5-6-17-11(10)12(14)15/h1-6H,7H2,(H,14,15)
InChI Key:
PYVFVAJZMRXLTE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)COc1ccsc1C(=O)O
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.996g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.711g/mol
Monoisotopic Mass:
267.996g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties