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Home > Indoles and Oxindole > 952664-81-2
952664-81-2 | 2-TERT-BUTYL-1-METHYL-5-NITRO-1H-INDOLE
CAS No: 952664-81-2 Catalog No: AG0065ON MDL No:
Product Description
Catalog Number:
AG0065ON
Chemical Name:
2-TERT-BUTYL-1-METHYL-5-NITRO-1H-INDOLE
CAS Number:
952664-81-2
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
2-tert-butyl-1-methyl-5-nitroindole
InChI:
InChI=1S/C13H16N2O2/c1-13(2,3)12-8-9-7-10(15(16)17)5-6-11(9)14(12)4/h5-8H,1-4H3
InChI Key:
VRGAZLNXPPQBNH-UHFFFAOYSA-N
SMILES:
Cn1c2ccc(cc2cc1C(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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