| CAS Number | 98503-52-7 |
| Catalog Number | AG003AUI(AGN-PC-0JPBVM) |
| Chemical Name | (9H-fluoren-9-ylidene)amino 4-methylbenzene-1-sulfonate |
| IUPAC Name | (fluoren-9-ylideneamino) 4-methylbenzenesulfonate |
| InChI | InChI=1S/C20H15NO3S/c1-14-10-12-15(13-11-14)25(22,23)24-21-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3 |
| InChI Key | JORIDVBGYJPGCN-UHFFFAOYSA-N |
| MDL Number | MFCD00655566 |
| Molecular Formula | C20H15NO3S |
| Molecular Weight | 349.4030 |
| NSC Number | 156189 |
| SMILES | O=S(O/N=C2/C1=C(C3=C2C=CC=C3)C=CC=C1)(C4=CC=C(C)C=C4)=O |
| Synonyms | NSC156189,
AC1L6FEG,
SCHEMBL2250279,
ZINC1579010,
NSC-156189,
(fluoren-9-ylideneamino) 4-methylbenzenesulfonate,
9-[(4-Methylphenyl)sulfonyloxyimino]-9H-fluorene,
9H-Fluoren-9-one,O-[(4-methylphenyl)sulfonyl]oxime,
98503-52-7,
CID291231,
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| Complexity | 577 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.404g/mol |
| Monoisotopic Mass | 349.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number