4-Formyl-2-methoxyphenylboronic Acid - CAS 1028479-47-1
Catalog: |
BB064587 |
Product Name: |
4-Formyl-2-methoxyphenylboronic Acid |
CAS: |
1028479-47-1 |
Synonyms: |
B-(4-Formyl-2-methoxyphenyl)boronic Acid |
IUPAC Name: | (4-formyl-2-methoxyphenyl)boronic acid |
Description: | 4-Formyl-2-methoxyphenylboronic Acid is used as a reactant in the identification of GDC-0810, an orally bioavailable selective estrogen receptor degrader that demonstrates activity in tamoxifen-resistant breast cancer xenografts. |
Molecular Weight: | 179.97 |
Molecular Formula: | C8H9BO4 |
Canonical SMILES: | B(C1=C(C=C(C=C1)C=O)OC)(O)O |
InChI: | InChI=1S/C8H9BO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-5,11-12H,1H3 |
InChI Key: | PQECZCKVUFXDGP-UHFFFAOYSA-N |
References: | Lai, A., et al. J. Med. Chem., 58, 4888 (2015). |
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: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0593889 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0593889 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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