| CAS Number | 1375084-45-9 |
| Catalog Number | AG00HV22(AGN-PC-0WQX5C) |
| Chemical Name | (9H-Fluoren-9-yl)methyl (3-cyanophenyl)carbamate |
| IUPAC Name | 9H-fluoren-9-ylmethyl N-(3-cyanophenyl)carbamate |
| InChI | InChI=1S/C22H16N2O2/c23-13-15-6-5-7-16(12-15)24-22(25)26-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21H,14H2,(H,24,25) |
| InChI Key | SMYGNDZAWDSFSD-UHFFFAOYSA-N |
| MDL Number | MFCD20265281 |
| Molecular Formula | C22H16N2O2 |
| Molecular Weight | 340.3746 |
| SMILES | C1(C#N)C=CC=C(NC(OCC2C3C=CC=CC=3C3C2=CC=CC=3)=O)C=1 |
| Synonyms | 3-(Fmoc-amino)benzonitrile,
1375084-45-9,
(9H-Fluoren-9-yl)methyl (3-cyanophenyl)carbamate,
3-(Fmoc-amino)benzonitrile, 97%,
MFCD20265281,
ZINC86014435,
|
| Complexity | 532 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.382g/mol |
| Monoisotopic Mass | 340.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number