| CAS Number | 478064-04-9 |
| Catalog Number | AG00IQ8I(AGN-PC-0WAVE4) |
| Chemical Name | 3-Amino-5-(4-chloro-phenyl)-cyclohex-2-enone |
| IUPAC Name | 3-amino-5-(4-chlorophenyl)cyclohex-2-en-1-one |
| InChI | InChI=1S/C12H12ClNO/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,7,9H,5-6,14H2 |
| InChI Key | PDFBDCHLULBNQS-UHFFFAOYSA-N |
| MDL Number | MFCD00105289 |
| Molecular Formula | C12H12ClNO |
| Molecular Weight | 221.6828 |
| SMILES | ClC2(=CC=C(C1(CC(N)=CC(C1)=O))C=C2) |
| Synonyms | 3-amino-5-(4-chlorophenyl)cyclohex-2-en-1-one,
3-Amino-5-(4-chloro-phenyl)-cyclohex-2-enone,
478064-04-9,
3-amino-5-(4-chlorophenyl)-2-cyclohexen-1-one,
Bionet2_000388,
AC1MD5OB,
Oprea1_463108,
CTK7D5201,
HMS1365B14,
ALBB-030370,
KS-00001YQ0,
MFCD00105289,
SBB083186,
AKOS002659408,
AKOS016041969,
MCULE-5633635615,
A57619,
6R-0084,
CID2806099,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.684g/mol |
| Monoisotopic Mass | 221.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number