2-(3-Bromophenoxy)tetrahydropyran - CAS 57999-49-2
Catalog: |
BB029897 |
Product Name: |
2-(3-Bromophenoxy)tetrahydropyran |
CAS: |
57999-49-2 |
Synonyms: |
2-(3-bromophenoxy)oxane; 2-(3-bromophenoxy)oxane |
IUPAC Name: | 2-(3-bromophenoxy)oxane |
Description: | 2-(3-Bromophenoxy)tetrahydropyran (CAS# 57999-49-2) is a useful research chemical. |
Molecular Weight: | 257.12 |
Molecular Formula: | C11H13BrO2 |
Canonical SMILES: | C1CCOC(C1)OC2=CC(=CC=C2)Br |
InChI: | InChI=1S/C11H13BrO2/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h3-5,8,11H,1-2,6-7H2 |
InChI Key: | YDIPSMGGPVMCHP-UHFFFAOYSA-N |
MDL: | MFCD00094009 |
LogP: | 3.35450 |
GHS Hazard Statement: | H317: May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2018058787-A | Heterocyclic compounds | 20161004 |
WO-2018066545-A1 | Heterocyclic compound | 20161004 |
JP-6899993-B2 | Heterocyclic compound | 20161004 |
AU-2014235172-A1 | Oxabicyclo [2.2.2] acid GPR120 modulators | 20130314 |
AU-2014235172-B2 | Oxabicyclo [2.2.2] acid GPR120 modulators | 20130314 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.00989 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.00989 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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