| CAS Number | 906440-37-7 |
| Catalog Number | AG01ENM7(AGN-PC-3H45PF) |
| Chemical Name | 2-[(2-Nitro-9H-fluorene-9-ylidene)methyl]phenol |
| IUPAC Name | 2-[(Z)-(2-nitrofluoren-9-ylidene)methyl]phenol |
| InChI | InChI=1S/C20H13NO3/c22-20-8-4-1-5-13(20)11-18-16-7-3-2-6-15(16)17-10-9-14(21(23)24)12-19(17)18/h1-12,22H/b18-11- |
| InChI Key | PEYKRJBXACUOOB-WQRHYEAKSA-N |
| MDL Number | MFCD29079013 |
| Molecular Formula | C20H13NO3 |
| Molecular Weight | 315.3221 |
| SMILES | O=N(=O)C=1C=CC=2C3=CC=CC=C3C(=CC=4C=CC=CC4O)C2C1 |
| Synonyms | SMBA 1,
906440-37-7,
2-[(2-Nitro-9H-fluorene-9-ylidene)methyl]phenol,
2-[(2-nitro-9H-fluoren-9-ylidene)methyl]phenol,
AC1Q21J7,
SCHEMBL19424251,
ZINC17162659,
AKOS025142084,
|
| Complexity | 512 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 315.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.328g/mol |
| Monoisotopic Mass | 315.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number