Home Carboxys 4-Iodo-benzo[b]thiophene-2-carboxylic acid methyl ester

4-Iodo-benzo[b]thiophene-2-carboxylic acid methyl ester

CAS No.:
146137-85-1
Catalog Number:
AG001DPX
Molecular Formula:
C10H7IO2S
Molecular Weight:
318.1309
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$38
- +
250mg
95%
In Stock USA
United States
$70
- +
1g
95%
In Stock USA
United States
$174
- +
5g
95%
In Stock USA
United States
$428
- +
Product Description
Catalog Number:
AG001DPX
Chemical Name:
4-Iodo-benzo[b]thiophene-2-carboxylic acid methyl ester
CAS Number:
146137-85-1
Molecular Formula:
C10H7IO2S
Molecular Weight:
318.1309
MDL Number:
MFCD07371549
IUPAC Name:
methyl 4-iodo-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H7IO2S/c1-13-10(12)9-5-6-7(11)3-2-4-8(6)14-9/h2-5H,1H3
InChI Key:
UGNPKTSBZTYSKG-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1)c(I)ccc2
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.921g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.128g/mol
Monoisotopic Mass:
317.921g/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