| CAS Number | 685565-14-4 |
| Catalog Number | AG00IBUS(AGN-PC-01NKHJ) |
| Chemical Name | 1H-Isoindole, 5-fluoro-2,3-dihydro-2-(phenylmethyl)- |
| IUPAC Name | 2-benzyl-5-fluoro-1,3-dihydroisoindole |
| InChI | InChI=1S/C15H14FN/c16-15-7-6-13-10-17(11-14(13)8-15)9-12-4-2-1-3-5-12/h1-8H,9-11H2 |
| InChI Key | XLDDQNUCGPXOQG-UHFFFAOYSA-N |
| MDL Number | MFCD16620232 |
| Molecular Formula | C15H14FN |
| Molecular Weight | 227.2768 |
| SMILES | FC1=CC2=C(CN(CC3=CC=CC=C3)C2)C=C1 |
| Synonyms | 2-Benzyl-5-fluoroisoindoline,
685565-14-4,
N-Benzyl-5-fluoroisoindoline,
SCHEMBL4224135,
XLDDQNUCGPXOQG-UHFFFAOYSA-N,
MFCD16620232,
ZINC137701785,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.282g/mol |
| Monoisotopic Mass | 227.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number