| CAS Number | 587878-72-6 |
| Catalog Number | AG019EQ0(AGN-PC-0OCSIS) |
| Chemical Name | (9H-fluoren-9-yl)methyl N-(3-ethynylphenyl)carbamate |
| IUPAC Name | 9H-fluoren-9-ylmethyl N-(3-ethynylphenyl)carbamate |
| InChI | InChI=1S/C23H17NO2/c1-2-16-8-7-9-17(14-16)24-23(25)26-15-22-20-12-5-3-10-18(20)19-11-4-6-13-21(19)22/h1,3-14,22H,15H2,(H,24,25) |
| InChI Key | CRMDIURFHUSMAM-UHFFFAOYSA-N |
| MDL Number | MFCD30691227 |
| Molecular Formula | C23H17NO2 |
| Molecular Weight | 339.3866 |
| SMILES | O=C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)NC1=CC(C#C)=CC=C1 |
| Synonyms | (9H-FLUOREN-9-YL)METHYL (3-ETHYNYLPHENYL)CARBAMATE,
587878-72-6,
CS-0037253,
3-Ethynylphenylcarbamic acid 9H-fluorene-9-ylmethyl ester,
(9H-fluoren-9-yl)methyl (3-ethynylphenyl)carbamate(WXC06504),
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| Complexity | 528 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.394g/mol |
| Monoisotopic Mass | 339.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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Certificate of Analysis
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