| CAS Number | 1060661-55-3 |
| Catalog Number | AG0084GI(AGN-PC-0WAAYQ) |
| Chemical Name | 5-Acetamido-2-methylphenylboronic acid |
| IUPAC Name | (5-acetamido-2-methylphenyl)boronic acid |
| 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 |
| MDL Number | MFCD11053867 |
| Molecular Formula | C9H12BNO3 |
| Molecular Weight | 193.0075 |
| SMILES | OB(C1=CC(=CC=C1C)NC(C)=O)O |
| Synonyms | 1060661-55-3,
(5-Acetamido-2-methylphenyl)boronic acid,
5-Acetamido-2-methylphenylboronic acid,
ACMC-2098ih,
SCHEMBL3323005,
CTK4A4321,
DTXSID30441028,
ANW-15303,
MFCD11053867,
AKOS006308402,
ZINC169746188,
RTR-001224,
TR-001224,
ST24020602,
Z6832,
A-3621,
I04-1989,
C9H12BNO3,
(5-Acetamido-2-methylphenyl)boronicacid,
CID10511971,
(5-acetamido-2-methyl-phenyl)boronic Acid,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.009g/mol |
| Monoisotopic Mass | 193.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^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