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115666-44-9 | Ethanone, 1-(5-bromo-2,3-dihydro-7-iodo-1H-indol-1-yl)-
CAS No: 115666-44-9 Catalog No: AG000GQQ MDL No:
Product Description
Catalog Number:
AG000GQQ
Chemical Name:
Ethanone, 1-(5-bromo-2,3-dihydro-7-iodo-1H-indol-1-yl)-
CAS Number:
115666-44-9
Molecular Formula:
C10H9BrINO
Molecular Weight:
365.9930
IUPAC Name:
1-(5-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone
InChI:
InChI=1S/C10H9BrINO/c1-6(14)13-3-2-7-4-8(11)5-9(12)10(7)13/h4-5H,2-3H2,1H3
InChI Key:
ATELFFXBBRBNFE-UHFFFAOYSA-N
SMILES:
Brc1cc(I)c2c(c1)CCN2C(=O)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.891g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.996g/mol
Monoisotopic Mass:
364.891g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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