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Home > Indoles and Oxindole > 887581-54-6
887581-54-6 | 6-(tert-Butyl)-1H-indole
CAS No: 887581-54-6 Catalog No: AG00IFFR MDL No:MFCD07367958
Product Description
Catalog Number:
AG00IFFR
Chemical Name:
6-(tert-Butyl)-1H-indole
CAS Number:
887581-54-6
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD07367958
IUPAC Name:
6-tert-butyl-1H-indole
InChI:
InChI=1S/C12H15N/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h4-8,13H,1-3H3
InChI Key:
VNMQJWPTYZPZDM-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)[nH]cc2)(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:
4.6
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