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150108-66-0 | Benzo[b]thiophene-3-carboxylic acid, 2-bromo-4,5,6,7-tetrahydro-, ethyl ester
CAS No: 150108-66-0 Catalog No: AG001MB1 MDL No:MFCD19441937
Product Description
Catalog Number:
AG001MB1
Chemical Name:
Benzo[b]thiophene-3-carboxylic acid, 2-bromo-4,5,6,7-tetrahydro-, ethyl ester
CAS Number:
150108-66-0
Molecular Formula:
C11H13BrO2S
Molecular Weight:
289.1887
MDL Number:
MFCD19441937
IUPAC Name:
ethyl 2-bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
InChI:
InChI=1S/C11H13BrO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6H2,1H3
InChI Key:
KRHUTJDRKGFWQD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Br)sc2c1CCCC2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.982g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.187g/mol
Monoisotopic Mass:
287.982g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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