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Home > Indoles and Oxindole > 1805-65-8
1805-65-8 | 1H-Indole, 2-(1,1-dimethylethyl)-
CAS No: 1805-65-8 Catalog No: AG00221X MDL No:MFCD04004060
Product Description
Catalog Number:
AG00221X
Chemical Name:
1H-Indole, 2-(1,1-dimethylethyl)-
CAS Number:
1805-65-8
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD04004060
IUPAC Name:
2-tert-butyl-1H-indole
InChI:
InChI=1S/C12H15N/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11/h4-8,13H,1-3H3
InChI Key:
WVPGIDWFLXGCLA-UHFFFAOYSA-N
SMILES:
CC(c1cc2c([nH]1)cccc2)(C)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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