2-Ethoxypyrimidine-5-boronic Acid - CAS 1003043-55-7
Catalog: |
BB000163 |
Product Name: |
2-Ethoxypyrimidine-5-boronic Acid |
CAS: |
1003043-55-7 |
Synonyms: |
(2-ethoxy-5-pyrimidinyl)boronic acid; (2-ethoxypyrimidin-5-yl)boronic acid |
IUPAC Name: | (2-ethoxypyrimidin-5-yl)boronic acid |
Description: | 2-Ethoxypyrimidine-5-boronic Acid (CAS# 1003043-55-7) is a useful research chemical. |
Molecular Weight: | 167.96 |
Molecular Formula: | C6H9N2O3B |
Canonical SMILES: | B(C1=CN=C(N=C1)OCC)(O)O |
InChI: | InChI=1S/C6H9BN2O3/c1-2-12-6-8-3-5(4-9-6)7(10)11/h3-4,10-11H,2H2,1H3 |
InChI Key: | VTPBKJXRYUDPAJ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD07375134 |
LogP: | -1.44490 |
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 |
WO-2020168143-A1 | Substituted bicyclic compounds as farnesoid x receptor modulators | 20190215 |
US-2021261535-A1 | Substituted bicyclic compounds as farnesoid x receptor modulators | 20190215 |
WO-2020121261-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
CN-113330001-A | 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same | 20181214 |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0706223 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0706223 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 75.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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