1-Boc-3-bromo-1H-pyrrole - CAS 475561-75-2
Catalog: |
BB026341 |
Product Name: |
1-Boc-3-bromo-1H-pyrrole |
CAS: |
475561-75-2 |
Synonyms: |
3-bromo-1-pyrrolecarboxylic acid tert-butyl ester; tert-butyl 3-bromopyrrole-1-carboxylate |
IUPAC Name: | tert-butyl 3-bromopyrrole-1-carboxylate |
Description: | 1-Boc-3-bromo-1H-pyrrole (CAS# 475561-75-2) is a useful research chemical. |
Molecular Weight: | 246.10 |
Molecular Formula: | C9H12BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=CC(=C1)Br |
InChI: | InChI=1S/C9H12BrNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h4-6H,1-3H3 |
InChI Key: | CUBWQHBOCOJUCM-UHFFFAOYSA-N |
LogP: | 3.03380 |
Publication Number | Title | Priority Date |
AU-2007316688-A1 | Arylsulfonyl pyrrolidines as 5-HT6 inhibitors | 20061109 |
BR-PI0718584-A2 | Arylsulphonyl Pyrrolidines as 5-HT6 Inhibitors | 20061109 |
CA-2667710-A1 | Arylsulfonyl pyrrolidines as 5-ht6 inhibitors | 20061109 |
EP-2081890-A1 | Arylsulfonyl pyrrolidines as 5-ht6 inhibitors | 20061109 |
EP-2081890-B1 | Arylsulfonyl pyrrolidines as 5-ht6 inhibitors | 20061109 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.00514 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.00514 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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