1-BOC-6-Bromoindole - CAS 147621-26-9
Catalog: |
BB046669 |
Product Name: |
1-BOC-6-Bromoindole |
CAS: |
147621-26-9 |
Synonyms: |
tert-Butyl 6-bromo-1H-indole-1-carboxylate; 1-tert-butoxycarbonyl-6-bromoindole; 1,1-Dimethylethyl 6-bromo-1H-indole-1-carboxylate; N-(tert-Butoxycarbonyl)-6-bromoindole; 6-Bromo-1-Boc-indole |
IUPAC Name: | tert-butyl 6-bromoindole-1-carboxylate |
Description: | 1-BOC-6-Bromoindole (CAS# 147621-26-9 ) is a useful research chemical. |
Molecular Weight: | 296.16 |
Molecular Formula: | C13H14BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)Br |
InChI: | InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-8H,1-3H3 |
InChI Key: | OUOWFTDOMYJYKB-UHFFFAOYSA-N |
Boiling Point: | 367.9±34.0 °C (Predicted) |
Melting Point: | 102-103 °C |
Purity: | ≥ 97 % by HPLC |
Density: | 1.37±0.1 g/cm3 (Predicted) |
Appearance: | Off-white to light purple solid |
MDL: | MFCD09954826 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.02079 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.02079 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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