Home Halogens Ethyl 5-bromo-3-(bromomethyl)-1-benzothiophene-2-carboxylate

Ethyl 5-bromo-3-(bromomethyl)-1-benzothiophene-2-carboxylate

CAS No.:
31310-31-3
Catalog Number:
AG00I5WK
Molecular Formula:
C12H10Br2O2S
Molecular Weight:
378.0796
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$350
- +
5g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00I5WK
Chemical Name:
Ethyl 5-bromo-3-(bromomethyl)-1-benzothiophene-2-carboxylate
CAS Number:
31310-31-3
Molecular Formula:
C12H10Br2O2S
Molecular Weight:
378.0796
MDL Number:
MFCD29173171
IUPAC Name:
ethyl 5-bromo-3-(bromomethyl)-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C12H10Br2O2S/c1-2-16-12(15)11-9(6-13)8-5-7(14)3-4-10(8)17-11/h3-5H,2,6H2,1H3
InChI Key:
YZPXTKCPSLLYKC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc2c(c1CBr)cc(cc2)Br
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.875g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.078g/mol
Monoisotopic Mass:
375.877g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties