| CAS Number | 1009094-73-8 |
| Catalog Number | AG00035T(AGN-PC-0WR006) |
| Chemical Name | 3-amino-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
| IUPAC Name | 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
| InChI | InChI=1S/C13H18BNO4/c1-12(2)13(3,4)19-14(18-12)9-5-8(11(16)17)6-10(15)7-9/h5-7H,15H2,1-4H3,(H,16,17) |
| InChI Key | FCBHIFVGVWWHIM-UHFFFAOYSA-N |
| MDL Number | MFCD22494865 |
| Molecular Formula | C13H18BNO4 |
| Molecular Weight | 263.0973 |
| SMILES | CC1(C(C)(C)OB(C2=CC(C(O)=O)=CC(N)=C2)O1)C |
| Synonyms | 1009094-73-8,
3-amino-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid,
3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid,
AKOS026672380,
ZINC170008137,
DA-16409,
FT-0718711,
Benzoic acid, 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.1g/mol |
| Monoisotopic Mass | 263.133g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number