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Home > Indoles and Oxindole > 1235441-27-6
1235441-27-6 | 5-tert-butyl-2,3-dihydro-1H-indole hydrochloride
CAS No: 1235441-27-6 Catalog No: AG01A8NO MDL No:MFCD16040127
Product Description
Catalog Number:
AG01A8NO
Chemical Name:
5-tert-butyl-2,3-dihydro-1H-indole hydrochloride
CAS Number:
1235441-27-6
Molecular Formula:
C12H18ClN
Molecular Weight:
211.7310
MDL Number:
MFCD16040127
IUPAC Name:
5-tert-butyl-2,3-dihydro-1H-indole;hydrochloride
InChI:
InChI=1S/C12H17N.ClH/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;/h4-5,8,13H,6-7H2,1-3H3;1H
InChI Key:
URWPFAWJZJRKJE-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)CCN2)(C)C.Cl
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.113g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.733g/mol
Monoisotopic Mass:
211.113g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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