4-(2-Methoxyethyl)phenylboronic Acid - CAS 188479-23-4
Catalog: |
BB063803 |
Product Name: |
4-(2-Methoxyethyl)phenylboronic Acid |
CAS: |
188479-23-4 |
Synonyms: |
[4-(2-Methoxyethyl)phenyl]boronic Acid |
IUPAC Name: | [4-(2-methoxyethyl)phenyl]boronic acid |
Description: | 4-(2-Methoxyethyl)phenylboronic Acid can be useful in the preparation of nonpeptide endothelin receptor antagonists. |
Molecular Weight: | 180.01 |
Molecular Formula: | C9H13BO3 |
Canonical SMILES: | B(C1=CC=C(C=C1)CCOC)(O)O |
InChI: | InChI=1S/C9H13BO3/c1-13-7-6-8-2-4-9(5-3-8)10(11)12/h2-5,11-12H,6-7H2,1H3 |
InChI Key: | ZXZQLVLSZIJHSN-UHFFFAOYSA-N |
References: | Cho, N., et al. Chem. Pharm. Bull., 46, 1724 (1998). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0957744 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0957744 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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