3-Methoxy-1-naphthaleneboronic Acid - CAS 219834-94-3
Catalog: |
BB017240 |
Product Name: |
3-Methoxy-1-naphthaleneboronic Acid |
CAS: |
219834-94-3 |
Synonyms: |
(3-methoxy-1-naphthalenyl)boronic acid; (3-methoxynaphthalen-1-yl)boronic acid |
IUPAC Name: | (3-methoxynaphthalen-1-yl)boronic acid |
Description: | 3-Methoxy-1-naphthaleneboronic Acid (CAS# 219834-94-3) is a useful chemical for research. |
Molecular Weight: | 202.01 |
Molecular Formula: | C11H11O3B |
Canonical SMILES: | B(C1=CC(=CC2=CC=CC=C12)OC)(O)O |
InChI: | InChI=1S/C11H11BO3/c1-15-9-6-8-4-2-3-5-10(8)11(7-9)12(13)14/h2-7,13-14H,1H3 |
InChI Key: | SEIWXMRNVBLGPH-UHFFFAOYSA-N |
LogP: | 0.52820 |
Publication Number | Title | Priority Date |
WO-2021041671-A1 | Kras g12d inhibitors | 20190829 |
US-2019374542-A1 | Kras g12c inhibitors and methods of using the same | 20180612 |
AU-2018273356-A1 | KRAS G12C inhibitors and methods of using the same | 20170522 |
CA-3063469-A1 | Kras g12c inhibitors and methods of using the same | 20170522 |
CN-110997668-A | KRAS G12C inhibitors and methods of use thereof | 20170522 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0801244 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0801244 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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