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Home > Indoles and Oxindole > 1227269-37-5
1227269-37-5 | 1H-Indole, 4-iodo-5-Methyl-
CAS No: 1227269-37-5 Catalog No: AG000J4R MDL No:
Product Description
Catalog Number:
AG000J4R
Chemical Name:
1H-Indole, 4-iodo-5-Methyl-
CAS Number:
1227269-37-5
Molecular Formula:
C9H8IN
Molecular Weight:
257.0710
IUPAC Name:
4-iodo-5-methyl-1H-indole
InChI:
InChI=1S/C9H8IN/c1-6-2-3-8-7(9(6)10)4-5-11-8/h2-5,11H,1H3
InChI Key:
YNSFOCGDLSHPDE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1I)cc[nH]2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.97g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.074g/mol
Monoisotopic Mass:
256.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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