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72527-77-6 | Ethanone,1-(4-iodo-1H-indol-3-yl)-
CAS No: 72527-77-6 Catalog No: AG0064XF MDL No:MFCD04038466
Product Description
Catalog Number:
AG0064XF
Chemical Name:
Ethanone,1-(4-iodo-1H-indol-3-yl)-
CAS Number:
72527-77-6
Molecular Formula:
C10H8INO
Molecular Weight:
285.0811
MDL Number:
MFCD04038466
IUPAC Name:
1-(4-iodo-1H-indol-3-yl)ethanone
InChI:
InChI=1S/C10H8INO/c1-6(13)7-5-12-9-4-2-3-8(11)10(7)9/h2-5,12H,1H3
InChI Key:
AETHSVNOUWYRPY-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]c2c1c(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:
284.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.084g/mol
Monoisotopic Mass:
284.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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