3-Bromotetrahydropyran-2-one - CAS 55974-69-1
Catalog: |
BB029228 |
Product Name: |
3-Bromotetrahydropyran-2-one |
CAS: |
55974-69-1 |
Synonyms: |
3-bromo-2-oxanone; 3-bromooxan-2-one |
IUPAC Name: | 3-bromooxan-2-one |
Description: | 3-Bromotetrahydropyran-2-one (CAS# 55974-69-1) is a useful research chemical. It is used in the preparation of diazole lactams as CCR1 receptor antagonists useful in treating CCR1-mediated diseases. |
Molecular Weight: | 179.01 |
Molecular Formula: | C5H7BrO2 |
Canonical SMILES: | C1CC(C(=O)OC1)Br |
InChI: | InChI=1S/C5H7BrO2/c6-4-2-1-3-8-5(4)7/h4H,1-3H2 |
InChI Key: | OFGZDTPHFDBLGJ-UHFFFAOYSA-N |
LogP: | 1.08690 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-107922366-A | Pyruvic dehydrogenase kinase inhibitor and its application | 20160323 |
WO-2017161524-A1 | Pyruvate dehydrogenase kinase inhibitor and application therefor | 20160323 |
JP-2016066019-A | Mask blank, mask blank manufacturing method, and transfer mask manufacturing method | 20140925 |
JP-6258830-B2 | Mask blank, mask blank manufacturing method, and transfer mask manufacturing method | 20140925 |
TW-I682235-B | Mask blank, manufacturing method of the same and manufacturing method of transfer mask | 20140925 |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.96294 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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