| CAS Number | 105925-39-1 |
| Catalog Number | AG01EIIR(AGN-PC-0KFB0B) |
| Chemical Name | 2-Chloro-10-(4-methoxybenzoyl)-10H-phenothiazine |
| IUPAC Name | (2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone |
| InChI | InChI=1S/C20H14ClNO2S/c1-24-15-9-6-13(7-10-15)20(23)22-16-4-2-3-5-18(16)25-19-11-8-14(21)12-17(19)22/h2-12H,1H3 |
| InChI Key | CSWHYHPUEDNIQY-UHFFFAOYSA-N |
| MDL Number | MFCD01245092 |
| Molecular Formula | C20H14ClNO2S |
| Molecular Weight | 367.8487 |
| SMILES | O=C(N2C4=C(C=CC=C4)SC3=CC=C(Cl)C=C23)C1=CC=C(OC)C=C1 |
| Synonyms | 2-chloro-10-(4-methoxybenzoyl)-10H-phenothiazine,
105925-39-1,
AC1M5SPO,
Oprea1_789892,
CHEMBL1801816,
ZINC3242538,
AKOS001020463,
MCULE-5534815876,
Z56843374,
(2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone,
ZINC03242538,
CID2359994,
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| Complexity | 482 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.847g/mol |
| Monoisotopic Mass | 367.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number