| CAS Number | 1310383-27-7 |
| Catalog Number | AG000VCZ(AGN-PC-0WA90D) |
| Chemical Name | 4-(1-Methyl-1h-imidazol-2-yl)phenylboronic acid |
| IUPAC Name | [4-(1-methylimidazol-2-yl)phenyl]boronic acid |
| InChI | InChI=1S/C10H11BN2O2/c1-13-7-6-12-10(13)8-2-4-9(5-3-8)11(14)15/h2-7,14-15H,1H3 |
| InChI Key | XVYZCKFKLYMRCG-UHFFFAOYSA-N |
| MDL Number | MFCD11111510 |
| Molecular Formula | C10H11BN2O2 |
| Molecular Weight | 202.0175 |
| SMILES | CN1C=CN=C1C1=CC=C(C=C1)B(O)O |
| Synonyms | 1310383-27-7,
(4-(1-Methyl-1H-imidazol-2-yl)phenyl)boronic acid,
4-(1-Methyl-1h-imidazol-2-yl)phenylboronic acid,
AK-26532,
Boronic acid, B-[4-(1-methyl-1H-imidazol-2-yl)phenyl]-,
[4-(1-Methyl-1H-imidazol-2-yl)phenyl]boronic acid,
SCHEMBL15330247,
DTXSID60672161,
MFCD11111510,
AKOS022175443,
ZINC169747742,
RP25903,
DS-10742,
AX8161056,
4CH-023604,
ST24034534,
ACN-034672,
[4-(1-methylimidazol-2-yl)phenyl]boronic acid,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.02g/mol |
| Monoisotopic Mass | 202.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302
|
|
Packing Group
|
|
|
Precautionary statements
|
P264-P270-P301+P312+P330-P501
|
|
Signal Words
|
warning
|
|
UN Code
|
|
Certificate of Analysis
Lot Number