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Home > Indoles and Oxindole > 111454-65-0
111454-65-0 | 1H-Indole, 3-iodo-1-propyl-
CAS No: 111454-65-0 Catalog No: AG007AKE MDL No:
Product Description
Catalog Number:
AG007AKE
Chemical Name:
1H-Indole, 3-iodo-1-propyl-
CAS Number:
111454-65-0
Molecular Formula:
C11H12IN
Molecular Weight:
285.1242
IUPAC Name:
3-iodo-1-propylindole
InChI:
InChI=1S/C11H12IN/c1-2-7-13-8-10(12)9-5-3-4-6-11(9)13/h3-6,8H,2,7H2,1H3
InChI Key:
JCFGFPDKCGZYAM-UHFFFAOYSA-N
SMILES:
CCCn1cc(c2c1cccc2)I
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.128g/mol
Monoisotopic Mass:
285.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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