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1823366-93-3

1823366-93-3 | 3-Thiophenecarboxylic acid, 5-bromo-4-ethoxy-, methyl ester

CAS No: 1823366-93-3 Catalog No: AG0023NY MDL No:

Product Description

Catalog Number:
AG0023NY
Chemical Name:
3-Thiophenecarboxylic acid, 5-bromo-4-ethoxy-, methyl ester
CAS Number:
1823366-93-3
Molecular Formula:
C8H9BrO3S
Molecular Weight:
265.1243
IUPAC Name:
methyl 5-bromo-4-ethoxythiophene-3-carboxylate
InChI:
InChI=1S/C8H9BrO3S/c1-3-12-6-5(8(10)11-2)4-13-7(6)9/h4H,3H2,1-2H3
InChI Key:
JNABOJAUOUDXBZ-UHFFFAOYSA-N
SMILES:
CCOc1c(Br)scc1C(=O)OC

Properties

Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.946g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.121g/mol
Monoisotopic Mass:
263.946g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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