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Home > Aldehydes > 114144-17-1
114144-17-1 | 1H-Indole-3-carboxaldehyde, 5-iodo-
CAS No: 114144-17-1 Catalog No: AG000ANL MDL No:
Product Description
Catalog Number:
AG000ANL
Chemical Name:
1H-Indole-3-carboxaldehyde, 5-iodo-
CAS Number:
114144-17-1
Molecular Formula:
C9H6INO
Molecular Weight:
271.0545
IUPAC Name:
5-iodo-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H6INO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H
InChI Key:
UTEGGIRVAHNXDS-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(I)cc2
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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