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Home > Indoles and Oxindole > 1692219-72-9
1692219-72-9 | 3-tert-butyl-2,3-dihydro-1H-indole
CAS No: 1692219-72-9 Catalog No: AG01BDBK MDL No:MFCD28118241
Product Description
Catalog Number:
AG01BDBK
Chemical Name:
3-tert-butyl-2,3-dihydro-1H-indole
CAS Number:
1692219-72-9
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD28118241
IUPAC Name:
3-tert-butyl-2,3-dihydro-1H-indole
InChI:
InChI=1S/C12H17N/c1-12(2,3)10-8-13-11-7-5-4-6-9(10)11/h4-7,10,13H,8H2,1-3H3
InChI Key:
UGMHCUGSEVODRD-UHFFFAOYSA-N
SMILES:
CC(C1CNc2c1cccc2)(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:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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