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Home > Aldehydes > 115666-25-6
115666-25-6 | 1H-Indole-3-carboxaldehyde, 6-iodo-
CAS No: 115666-25-6 Catalog No: AG000GQT MDL No:
Product Description
Catalog Number:
AG000GQT
Chemical Name:
1H-Indole-3-carboxaldehyde, 6-iodo-
CAS Number:
115666-25-6
Molecular Formula:
C9H6INO
Molecular Weight:
271.0545
IUPAC Name:
6-iodo-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H6INO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H
InChI Key:
MEESOKSOKCJRIG-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1ccc(c2)I
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.949g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.057g/mol
Monoisotopic Mass:
270.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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