| CAS Number | 1029439-61-9 |
| Catalog Number | AG01FL7F(AGN-PC-3H4B2D) |
| Chemical Name | (4-((naphthalen-1-ylamino)methyl)phenyl)boronic acid |
| IUPAC Name | [4-[(naphthalen-1-ylamino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C17H16BNO2/c20-18(21)15-10-8-13(9-11-15)12-19-17-7-3-5-14-4-1-2-6-16(14)17/h1-11,19-21H,12H2 |
| InChI Key | BSMMKWBLXDFJMG-UHFFFAOYSA-N |
| MDL Number | MFCD31916483 |
| Molecular Formula | C17H16BNO2 |
| Molecular Weight | 277.1254 |
| SMILES | OB(O)C1=CC=C(CNC2=CC=CC3=C2C=CC=C3)C=C1 |
| Synonyms | 1029439-61-9,
SCHEMBL257902,
AS-55536,
(4-((naphthalen-1-ylamino)methyl)phenyl)boronic acid,
(4-{[(naphthalen-1-yl)amino]methyl}phenyl)boronic acid,
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| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.13g/mol |
| Monoisotopic Mass | 277.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number