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183133-90-6 | Benzo[b]thiophene, 2-bromo-6-methoxy-
CAS No: 183133-90-6 Catalog No: AG0024ET MDL No:
Product Description
Catalog Number:
AG0024ET
Chemical Name:
Benzo[b]thiophene, 2-bromo-6-methoxy-
CAS Number:
183133-90-6
Molecular Formula:
C9H7BrOS
Molecular Weight:
243.1203
IUPAC Name:
2-bromo-6-methoxy-1-benzothiophene
InChI:
InChI=1S/C9H7BrOS/c1-11-7-3-2-6-4-9(10)12-8(6)5-7/h2-5H,1H3
InChI Key:
ZPGUHASFFYDIDX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(c2)Br
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.94g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.118g/mol
Monoisotopic Mass:
241.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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