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Home > Indoles and Oxindole > 81038-38-2
81038-38-2 | 4-Iodo-1H-indole
CAS No: 81038-38-2 Catalog No: AG0056G8 MDL No:MFCD11007899
Product Description
Catalog Number:
AG0056G8
Chemical Name:
4-Iodo-1H-indole
CAS Number:
81038-38-2
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
MDL Number:
MFCD11007899
IUPAC Name:
4-iodo-1H-indole
InChI:
InChI=1S/C8H6IN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H
InChI Key:
XVRDITINKCASST-UHFFFAOYSA-N
SMILES:
Ic1cccc2c1cc[nH]2
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.047g/mol
Monoisotopic Mass:
242.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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