| CAS Number | 68890-19-7 |
| Catalog Number | AG019EYW |
| Chemical Name | 3-[(2-bromophenyl)amino]cyclohex-2-en-1-one |
| IUPAC Name | 3-(2-bromoanilino)cyclohex-2-en-1-one |
| InChI | InChI=1S/C12H12BrNO/c13-11-6-1-2-7-12(11)14-9-4-3-5-10(15)8-9/h1-2,6-8,14H,3-5H2 |
| InChI Key | FRCSXFPFMIQSLE-UHFFFAOYSA-N |
| MDL Number | MFCD01168838 |
| Molecular Formula | C12H12BrNO |
| Molecular Weight | 266.1338 |
| SMILES | Brc1ccccc1NC1=CC(=O)CCC1 |
| Synonyms | 68890-19-7,
2-Cyclohexen-1-one, 3-[(2-bromophenyl)amino]-,
3-((2-Bromophenyl)amino)cyclohex-2-en-1-one,
3-[(2-BROMOPHENYL)AMINO]CYCLOHEX-2-EN-1-ONE,
Enamine_001554,
AC1NO170,
HMS1398G14,
ZINC5338260,
AKOS001031213,
MCULE-8235575197,
3-(2-bromoanilino)cyclohex-2-en-1-one,
3-((2-Bromophenyl)amino)cyclohex-2-enone,
CS-0060083,
SR-01000030199,
SR-01000030199-1,
ZINC05338260,
CID5080583,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.138g/mol |
| Monoisotopic Mass | 265.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number