2-Cyano-4-methylphenylboronic acid - CAS 1328882-30-9
Catalog: |
BB069023 |
Product Name: |
2-Cyano-4-methylphenylboronic acid |
CAS: |
1328882-30-9 |
Synonyms: |
(2-Cyano-4-methylphenyl)boronic acid; 2-CYANO-4-METHYLPHENYLBORONIC ACID; (2-Cyano-4-methylphenyl)boronicacid |
IUPAC Name: | (2-cyano-4-methylphenyl)boronic acid |
Description: | 2-Cyano-4-methylphenylboronic acid |
Molecular Weight: | 160.97 |
Molecular Formula: | C8H8BNO2 |
Canonical SMILES: | B(C1=C(C=C(C=C1)C)C#N)(O)O |
InChI: | InChI=1S/C8H8BNO2/c1-6-2-3-8(9(11)12)7(4-6)5-10/h2-4,11-12H,1H3 |
InChI Key: | JNMAPBUMNAHKOU-UHFFFAOYSA-N |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.0648087 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.0648087 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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