Home Halogens Ethyl 5-bromo-3-methyl-1-benzothiophene-2-carboxylate

Ethyl 5-bromo-3-methyl-1-benzothiophene-2-carboxylate

CAS No.:
31310-24-4
Catalog Number:
AG00I5WJ
Molecular Formula:
C12H11BrO2S
Molecular Weight:
299.1835
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$313
- +
5g
98%
In Stock USA
United States
$1100
- +
Product Description
Catalog Number:
AG00I5WJ
Chemical Name:
Ethyl 5-bromo-3-methyl-1-benzothiophene-2-carboxylate
CAS Number:
31310-24-4
Molecular Formula:
C12H11BrO2S
Molecular Weight:
299.1835
MDL Number:
MFCD29192889
IUPAC Name:
ethyl 5-bromo-3-methyl-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C12H11BrO2S/c1-3-15-12(14)11-7(2)9-6-8(13)4-5-10(9)16-11/h4-6H,3H2,1-2H3
InChI Key:
RLLLVYLZSRGUOO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc2c(c1C)cc(cc2)Br
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.966g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.182g/mol
Monoisotopic Mass:
297.966g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties