Home Halogens Methyl 6-chlorobenzo[b]thiophene-2-carboxylate

Methyl 6-chlorobenzo[b]thiophene-2-carboxylate

CAS No.:
104795-85-9
Catalog Number:
AG008VC1
Molecular Formula:
C10H7ClO2S
Molecular Weight:
226.6794
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$232
- +
5g
97%
1 week
United States
$628
- +
Product Description
Catalog Number:
AG008VC1
Chemical Name:
Methyl 6-chlorobenzo[b]thiophene-2-carboxylate
CAS Number:
104795-85-9
Molecular Formula:
C10H7ClO2S
Molecular Weight:
226.6794
MDL Number:
MFCD09027103
IUPAC Name:
methyl 6-chloro-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H7ClO2S/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3
InChI Key:
YKNFICOVOXVEIN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(s1)cc(cc2)Cl
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.986g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.674g/mol
Monoisotopic Mass:
225.986g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties