6-Bromoisochroman-1-one - CAS 1162262-43-2
Catalog: |
BB003729 |
Product Name: |
6-Bromoisochroman-1-one |
CAS: |
1162262-43-2 |
Synonyms: |
6-bromo-3,4-dihydro-1H-2-benzopyran-1-one; 6-bromo-3,4-dihydroisochromen-1-one |
IUPAC Name: | 6-bromo-3,4-dihydroisochromen-1-one |
Description: | 6-Bromoisochroman-1-one (CAS# 1162262-43-2 ) is a useful research chemical. |
Molecular Weight: | 227.05 |
Molecular Formula: | C9H7BrO2 |
Canonical SMILES: | C1COC(=O)C2=C1C=C(C=C2)Br |
InChI: | InChI=1S/C9H7BrO2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-2,5H,3-4H2 |
InChI Key: | UPAPBCUWEGCRAG-UHFFFAOYSA-N |
LogP: | 2.16200 |
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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021207554-A1 | Compounds and methods for modulating splicing | 20200408 |
WO-2020211839-A1 | Jak1 selective kinase inhibitor | 20190419 |
TW-202104215-A | Jak1 selective kinase inhibitor | 20190419 |
AU-2018222093-A1 | Macrocyclic broad spectrum antibiotics | 20170215 |
EP-3583096-A1 | Macrocyclic broad spectrum antibiotics | 20170215 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.96294 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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