N-Boc-3-bromo-6-chloroindole - CAS 1246471-36-2
Catalog: |
BB005957 |
Product Name: |
N-Boc-3-bromo-6-chloroindole |
CAS: |
1246471-36-2 |
Synonyms: |
3-bromo-6-chloro-1-indolecarboxylic acid tert-butyl ester; tert-butyl 3-bromo-6-chloroindole-1-carboxylate |
IUPAC Name: | tert-butyl 3-bromo-6-chloroindole-1-carboxylate |
Description: | N-Boc-3-bromo-6-chloroindole (CAS# 1246471-36-2) is a useful research chemical. |
Molecular Weight: | 330.60 |
Molecular Formula: | C13H13BrClNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)Cl)Br |
InChI: | InChI=1S/C13H13BrClNO2/c1-13(2,3)18-12(17)16-7-10(14)9-5-4-8(15)6-11(9)16/h4-7H,1-3H3 |
InChI Key: | BZZPVBVOSNRGHB-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 4.84040 |
Publication Number | Title | Priority Date |
WO-2021083060-A1 | Five-membered heterocyclic oxocarboxylic acid compound and medical use thereof | 20191028 |
Complexity: | 331 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 328.98182 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 328.98182 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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