1-Boc-3-(4-bromophenyl)-3-hydroxyazetidine - CAS 1357614-50-6
Catalog: |
BB008246 |
Product Name: |
1-Boc-3-(4-bromophenyl)-3-hydroxyazetidine |
CAS: |
1357614-50-6 |
Synonyms: |
3-(4-bromophenyl)-3-hydroxy-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-(4-bromophenyl)-3-hydroxyazetidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-(4-bromophenyl)-3-hydroxyazetidine-1-carboxylate |
Description: | 1-Boc-3-(4-bromophenyl)-3-hydroxyazetidine (CAS# 1357614-50-6 ) is a useful research chemical. |
Molecular Weight: | 328.20 |
Molecular Formula: | C14H18BrNO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(C1)(C2=CC=C(C=C2)Br)O |
InChI: | InChI=1S/C14H18BrNO3/c1-13(2,3)19-12(17)16-8-14(18,9-16)10-4-6-11(15)7-5-10/h4-7,18H,8-9H2,1-3H3 |
InChI Key: | XRLOWKAACZKDBK-UHFFFAOYSA-N |
LogP: | 2.82530 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020228823-A1 | Novel amide compounds and uses thereof | 20190516 |
CN-112047877-A | Novel amide compound and use thereof | 20190516 |
US-2019308938-A1 | Heterocyclic Compounds for the Treatment of Arenavirus | 20160712 |
EP-3096754-A1 | Metallo-beta-lactamase inhibitors | 20140122 |
EP-3096754-B1 | Metallo-beta-lactamase inhibitors | 20140122 |
Complexity: | 339 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 327.04701 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 327.04701 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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