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691888-17-2 | Ethanone,1-(7-iodobenzo[b]thien-2-yl)-
CAS No: 691888-17-2 Catalog No: AG005L0D MDL No:
Product Description
Catalog Number:
AG005L0D
Chemical Name:
Ethanone,1-(7-iodobenzo[b]thien-2-yl)-
CAS Number:
691888-17-2
Molecular Formula:
C10H7IOS
Molecular Weight:
302.1315
IUPAC Name:
1-(7-iodo-1-benzothiophen-2-yl)ethanone
InChI:
InChI=1S/C10H7IOS/c1-6(12)9-5-7-3-2-4-8(11)10(7)13-9/h2-5H,1H3
InChI Key:
HIWBWYKTZIBBTF-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2c(s1)c(I)ccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.926g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.129g/mol
Monoisotopic Mass:
301.926g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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