Home Carboxys 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid

3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid

CAS No.:
588676-90-8
Catalog Number:
AG00EEC4
Molecular Formula:
C9H4ClFO2S
Molecular Weight:
230.6433
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
90%
In Stock USA
United States
$289
- +
5g
90%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG00EEC4
Chemical Name:
3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid
CAS Number:
588676-90-8
Molecular Formula:
C9H4ClFO2S
Molecular Weight:
230.6433
MDL Number:
MFCD03422297
IUPAC Name:
3-chloro-4-fluoro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H4ClFO2S/c10-7-6-4(11)2-1-3-5(6)14-8(7)9(12)13/h1-3H,(H,12,13)
InChI Key:
RMXOFPIRXDWBGE-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1Cl)c(F)ccc2
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.96g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.637g/mol
Monoisotopic Mass:
229.96g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties