| CAS Number | 856255-58-8 |
| Catalog Number | AG0050Z0(AGN-PC-0WAAC1) |
| Chemical Name | (4-Cyano-3-methylphenyl)boronic acid |
| IUPAC Name | (4-cyano-3-methylphenyl)boronic acid |
| InChI | InChI=1S/C8H8BNO2/c1-6-4-8(9(11)12)3-2-7(6)5-10/h2-4,11-12H,1H3 |
| InChI Key | CCEBEGIKXKLSDR-UHFFFAOYSA-N |
| MDL Number | MFCD18394419 |
| Molecular Formula | C8H8BNO2 |
| Molecular Weight | 160.9656 |
| SMILES | CC1=CC(B(O)O)=CC=C1C#N |
| Synonyms | 856255-58-8,
(4-Cyano-3-methylphenyl)boronic acid,
4-CYANO-3-METHYLPHENYLBORONIC ACID,
ACMC-209q72,
SCHEMBL3267439,
CTK8B2464,
DTXSID10681546,
4-Cyano-3-methylphenylboronicacid,
CCEBEGIKXKLSDR-UHFFFAOYSA-N,
ANW-38220,
MFCD18394419,
AKOS015893133,
ZINC169746640,
SC-82891,
TC-126965,
ST24020554,
V8120,
A-3485,
I04-1843,
C8H8BNO2,
(4-Cyano-3-methylphenyl)boronicacid,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.967g/mol |
| Monoisotopic Mass | 161.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number