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1423-63-8 | Ethanone, 1-(5-bromobenzo[b]thien-3-yl)-
CAS No: 1423-63-8 Catalog No: AG001I5C MDL No:MFCD06411546
Product Description
Catalog Number:
AG001I5C
Chemical Name:
Ethanone, 1-(5-bromobenzo[b]thien-3-yl)-
CAS Number:
1423-63-8
Molecular Formula:
C10H7BrOS
Molecular Weight:
255.1310
MDL Number:
MFCD06411546
IUPAC Name:
1-(5-bromo-1-benzothiophen-3-yl)ethanone
InChI:
InChI=1S/C10H7BrOS/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-5H,1H3
InChI Key:
IRGMTUHYELTYEG-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(cs2)C(=O)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.129g/mol
Monoisotopic Mass:
253.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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