| CAS Number | 1312789-54-0 |
| Catalog Number | AG01FPGV(AGN-PC-3H5OO0) |
| Chemical Name | N-(3-bromobenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| IUPAC Name | N-[(3-bromophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI | InChI=1S/C19H23BBrNO2/c1-18(2)19(3,4)24-20(23-18)15-8-10-17(11-9-15)22-13-14-6-5-7-16(21)12-14/h5-12,22H,13H2,1-4H3 |
| InChI Key | YYIRXMMVMXNVLM-UHFFFAOYSA-N |
| MDL Number | MFCD32206434 |
| Molecular Formula | C19H23BBrNO2 |
| Molecular Weight | 388.1064 |
| SMILES | BrC=1C=C(CNC2=CC=C(C=C2)B2OC(C(O2)(C)C)(C)C)C=CC1 |
| Synonyms | N-[(3-bromophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline,
SCHEMBL9933163,
YYIRXMMVMXNVLM-UHFFFAOYSA-N,
AS-72895,
1312789-54-0,
|
| Complexity | 408 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 387.10052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 388.1g/mol |
| Monoisotopic Mass | 387.10052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 30.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number