1-Boc-4-nitroindole - CAS 913836-24-5
Catalog: |
BB040160 |
Product Name: |
1-Boc-4-nitroindole |
CAS: |
913836-24-5 |
Synonyms: |
4-nitro-1-indolecarboxylic acid tert-butyl ester; tert-butyl 4-nitroindole-1-carboxylate |
IUPAC Name: | tert-butyl 4-nitroindole-1-carboxylate |
Description: | 1-Boc-4-nitroindole (CAS# 913836-24-5) is a useful research chemical. |
Molecular Weight: | 262.26 |
Molecular Formula: | C13H14N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2[N+](=O)[O-] |
InChI: | InChI=1S/C13H14N2O4/c1-13(2,3)19-12(16)14-8-7-9-10(14)5-4-6-11(9)15(17)18/h4-8H,1-3H3 |
InChI Key: | UKMLUDGMHPZXGN-UHFFFAOYSA-N |
Boiling Point: | 395.3 °C at 760 mmHg |
Density: | 1.26 g/cm3 |
LogP: | 3.85590 |
Publication Number | Title | Priority Date |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
WO-2020130214-A1 | Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof | 20181219 |
KR-20200076808-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20181219 |
KR-102128509-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20181219 |
Complexity: | 372 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.09535693 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.09535693 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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