1-Boc-2,3-dimethyl-5-nitro-1H-indole - CAS 1824681-49-3
Catalog: |
BB014000 |
Product Name: |
1-Boc-2,3-dimethyl-5-nitro-1H-indole |
CAS: |
1824681-49-3 |
Synonyms: |
2,3-dimethyl-5-nitro-1-indolecarboxylic acid tert-butyl ester; tert-butyl 2,3-dimethyl-5-nitroindole-1-carboxylate |
IUPAC Name: | tert-butyl 2,3-dimethyl-5-nitroindole-1-carboxylate |
Description: | 1-Boc-2,3-dimethyl-5-nitro-1H-indole (CAS# 1824681-49-3 ) is a useful research chemical. |
Molecular Weight: | 290.31 |
Molecular Formula: | C15H18N2O4 |
Canonical SMILES: | CC1=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C)C |
InChI: | InChI=1S/C15H18N2O4/c1-9-10(2)16(14(18)21-15(3,4)5)13-7-6-11(17(19)20)8-12(9)13/h6-8H,1-5H3 |
InChI Key: | SOUVTWNAINNKGP-UHFFFAOYSA-N |
LogP: | 4.47270 |
Complexity: | 426 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.12665706 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.12665706 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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