5-Bromo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester - CAS 928653-80-9
Catalog: |
BB040682 |
Product Name: |
5-Bromo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester |
CAS: |
928653-80-9 |
Synonyms: |
tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate |
IUPAC Name: | tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate |
Description: | 5-Bromo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester (CAS# 928653-80-9) is a useful research chemical. |
Molecular Weight: | 297.15 |
Molecular Formula: | C12H13BrN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=CC2=CC(=CN=C21)Br |
InChI: | InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15/h4-7H,1-3H3 |
InChI Key: | IEJVSMXKNBLMND-UHFFFAOYSA-N |
Boiling Point: | 361.8 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.46 g/cm3 |
MDL: | MFCD08741534 |
LogP: | 3.58200 |
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Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.01604 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.01604 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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Pyridines
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