2-(4-Bromo-3-fluorophenyl)pyrrolidine - CAS 1175528-91-2
Catalog: |
BB003954 |
Product Name: |
2-(4-Bromo-3-fluorophenyl)pyrrolidine |
CAS: |
1175528-91-2 |
Synonyms: |
2-(4-bromo-3-fluorophenyl)pyrrolidine; 2-(4-bromo-3-fluorophenyl)pyrrolidine |
IUPAC Name: | 2-(4-bromo-3-fluorophenyl)pyrrolidine |
Description: | 2-(4-Bromo-3-fluorophenyl)pyrrolidine (CAS# 1175528-91-2) is a useful research chemical. |
Molecular Weight: | 244.10 |
Molecular Formula: | C10H11BrFN |
Canonical SMILES: | C1CC(NC1)C2=CC(=C(C=C2)Br)F |
InChI: | InChI=1S/C10H11BrFN/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2 |
InChI Key: | YYYARIDAUPMDGY-UHFFFAOYSA-N |
LogP: | 3.34150 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-109608464-A | A kind of radioiodination Larotrectinib compound and its preparation method and application | 20181212 |
WO-2020119206-A1 | Radioactive iodine-labelled larotrectinib compound, preparation method therefor and use thereof | 20181212 |
CN-109608464-B | Radioiodine-labeled Larotrectinib compound and preparation method and application thereof | 20181212 |
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JP-2011511078-A | Benzoxazole carboxamide inhibitors of poly (ADP ribose) polymerase (PARP) | 20080206 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.00589 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.00589 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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