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2513-49-7 | Benzo[b]thiophen-4(5H)-one, 5-bromo-6,7-dihydro-
CAS No: 2513-49-7 Catalog No: AG002QKT MDL No:MFCD08694564
Product Description
Catalog Number:
AG002QKT
Chemical Name:
Benzo[b]thiophen-4(5H)-one, 5-bromo-6,7-dihydro-
CAS Number:
2513-49-7
Molecular Formula:
C8H7BrOS
Molecular Weight:
231.1096
MDL Number:
MFCD08694564
IUPAC Name:
5-bromo-6,7-dihydro-5H-1-benzothiophen-4-one
InChI:
InChI=1S/C8H7BrOS/c9-6-1-2-7-5(8(6)10)3-4-11-7/h3-4,6H,1-2H2
InChI Key:
KBLQDFSWVMPYEM-UHFFFAOYSA-N
SMILES:
BrC1CCc2c(C1=O)ccs2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.94g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.107g/mol
Monoisotopic Mass:
229.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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