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Home > Indoles and Oxindole > 1696315-42-0
1696315-42-0 | 3-iodo-1H-indole-6-carbonitrile
CAS No: 1696315-42-0 Catalog No: AG00HZBV MDL No:
Product Description
Catalog Number:
AG00HZBV
Chemical Name:
3-iodo-1H-indole-6-carbonitrile
CAS Number:
1696315-42-0
Molecular Formula:
C9H5IN2
Molecular Weight:
268.0539
IUPAC Name:
3-iodo-1H-indole-6-carbonitrile
InChI:
InChI=1S/C9H5IN2/c10-8-5-12-9-3-6(4-11)1-2-7(8)9/h1-3,5,12H
InChI Key:
MVMWRYCNOUKJSF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]cc2I
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.95g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.057g/mol
Monoisotopic Mass:
267.95g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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