| CAS Number | 790272-28-5 |
| Catalog Number | AG00G3TF |
| Chemical Name | 6-BENZYLIDENE-2-(2-CHLORO-PHENYL)-2-METHYLAMINO-CYCLOHEXANONE |
| IUPAC Name | (6E)-6-benzylidene-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one |
| InChI | InChI=1S/C20H20ClNO/c1-22-20(17-11-5-6-12-18(17)21)13-7-10-16(19(20)23)14-15-8-3-2-4-9-15/h2-6,8-9,11-12,14,22H,7,10,13H2,1H3/b16-14+ |
| InChI Key | NMIRKZWCHKQRAV-JQIJEIRASA-N |
| MDL Number | MFCD06358030 |
| Molecular Formula | C20H20ClNO |
| Molecular Weight | 325.8319 |
| SMILES | O=C1C(NC)(C2=CC=CC=C2Cl)CCCC1=CC3=CC=CC=C3 |
| Synonyms | 6-Benzylidene-2-(2-chloro-phenyl)-2-methylamino-cyclohexanone,
790272-28-5,
6-benzylidene-2-(2-chlorophenyl)-2-methylamino-cyclohexanone,
EN300-02738,
AC1O1MD4,
AC1Q40UK,
MFCD06358030,
AKOS000122085,
J-518273,
(6E)-6-benzylidene-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one,
CID6126322,
6-benzylidene-2-(2-chlorophenyl)-2-methylamino-cyclohexan-1-one,
|
| Complexity | 455 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 325.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.836g/mol |
| Monoisotopic Mass | 325.123g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number