| CAS Number | 1190875-38-7 |
| Catalog Number | AG00HEW7(AGN-PC-0WB55H) |
| Chemical Name | (2-Methyl-1-oxoisoindolin-5-yl)boronic acid |
| IUPAC Name | (2-methyl-1-oxo-3H-isoindol-5-yl)boronic acid |
| InChI | InChI=1S/C9H10BNO3/c1-11-5-6-4-7(10(13)14)2-3-8(6)9(11)12/h2-4,13-14H,5H2,1H3 |
| InChI Key | YGHVSQXEGJVZFG-UHFFFAOYSA-N |
| MDL Number | MFCD18205345 |
| Molecular Formula | C9H10BNO3 |
| Molecular Weight | 190.9916 |
| SMILES | C1(=O)C2=CC=C(C=C2CN1C)B(O)O |
| Synonyms | 1190875-38-7,
2-methyl-1-oxoisoindolin-5-ylboronic acid,
(2-METHYL-1-OXO-2,3-DIHYDRO-1H-ISOINDOL-5-YL)BORONIC ACID,
(2-Methyl-1-oxoisoindolin-5-yl)boronic acid,
SCHEMBL289469,
YGHVSQXEGJVZFG-UHFFFAOYSA-N,
ZX-CM006650,
MFCD18205345,
AKOS027426130,
ZINC200575793,
FCH1152119,
DA-14744,
SC-89108,
FT-0757559,
(2-METHYL-1-OXO-2,3-DIHYDRO-1H-ISOINDOL-5-YL)BORON,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.993g/mol |
| Monoisotopic Mass | 191.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number