Home Halogens Methyl 3-chlorobenzo[b]thiophene-2-carboxylate

Methyl 3-chlorobenzo[b]thiophene-2-carboxylate

CAS No.:
21211-07-4
Catalog Number:
AG003RRT
Molecular Formula:
C10H7ClO2S
Molecular Weight:
226.6794
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95+%
1 week
United States
$73
- +
5g
95+%
1 week
United States
$170
- +
25g
95+%
1 week
United States
$559
- +
Product Description
Catalog Number:
AG003RRT
Chemical Name:
Methyl 3-chlorobenzo[b]thiophene-2-carboxylate
CAS Number:
21211-07-4
Molecular Formula:
C10H7ClO2S
Molecular Weight:
226.6794
MDL Number:
MFCD00052503
IUPAC Name:
methyl 3-chloro-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H7ClO2S/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5H,1H3
InChI Key:
VAPMGETZRJYSLW-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1Cl)cccc2
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