N-Boc-3-bromo-6-nitroindole - CAS 1246471-29-3
Catalog: |
BB005954 |
Product Name: |
N-Boc-3-bromo-6-nitroindole |
CAS: |
1246471-29-3 |
Synonyms: |
3-bromo-6-nitro-1-indolecarboxylic acid tert-butyl ester; tert-butyl 3-bromo-6-nitroindole-1-carboxylate |
IUPAC Name: | tert-butyl 3-bromo-6-nitroindole-1-carboxylate |
Description: | N-Boc-3-bromo-6-nitroindole (CAS# 1246471-29-3) is a useful research chemical. |
Molecular Weight: | 341.16 |
Molecular Formula: | C13H13BrN2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)[N+](=O)[O-])Br |
InChI: | InChI=1S/C13H13BrN2O4/c1-13(2,3)20-12(17)15-7-10(14)9-5-4-8(16(18)19)6-11(9)15/h4-7H,1-3H3 |
InChI Key: | GPNILAWQQQYXJF-UHFFFAOYSA-N |
LogP: | 3.44960 |
Complexity: | 404 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 340.00587 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 340.00587 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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