5-Acetamido-2-methylphenylboronic Acid - CAS 1060661-55-3
Catalog: |
BB001768 |
Product Name: |
5-Acetamido-2-methylphenylboronic Acid |
CAS: |
1060661-55-3 |
Synonyms: |
(5-acetamido-2-methylphenyl)boronic acid; (5-acetamido-2-methylphenyl)boronic acid |
IUPAC Name: | (5-acetamido-2-methylphenyl)boronic acid |
Description: | 5-Acetamido-2-methylphenylboronic Acid (CAS# 1060661-55-3) is a building block used in organic synthesis. |
Molecular Weight: | 193.01 |
Molecular Formula: | C9H12NO3B |
Canonical SMILES: | B(C1=C(C=CC(=C1)NC(=O)C)C)(O)O |
InChI: | InChI=1S/C9H12BNO3/c1-6-3-4-8(11-7(2)12)5-9(6)10(13)14/h3-5,13-14H,1-2H3,(H,11,12) |
InChI Key: | YJBSHDWYEWWMNT-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | -0.29380 |
Publication Number | Title | Priority Date |
AU-2018273356-A1 | KRAS G12C inhibitors and methods of using the same | 20170522 |
US-10519146-B2 | KRAS G12C inhibitors and methods of using the same | 20170522 |
US-2018334454-A1 | Kras g12c inhibitors and methods of using the same | 20170522 |
US-2020055845-A1 | Kras g12c inhibitors and methods of using the same | 20170522 |
US-2021009577-A1 | Kras g12c inhibitors and methods of using the same | 20170522 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.0910234 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0910234 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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