| CAS Number | 138716-24-2 |
| Catalog Number | AG009X5G(AGN-PC-0O1MUA) |
| Chemical Name | (2E)-1-(3,4-Dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one |
| IUPAC Name | (E)-1-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one |
| InChI | InChI=1S/C11H11Cl2NO/c1-14(2)6-5-11(15)8-3-4-9(12)10(13)7-8/h3-7H,1-2H3/b6-5+ |
| InChI Key | ABRRTQJUYQGWLY-AATRIKPKSA-N |
| MDL Number | MFCD01569966 |
| Molecular Formula | C11H11Cl2NO |
| Molecular Weight | 244.1171 |
| SMILES | CN(C=CC(C1=CC(Cl)=C(Cl)C=C1)=O)C |
| Synonyms | (2E)-1-(3,4-Dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one,
138716-24-2,
AC1NWW3X,
SCHEMBL8837891,
ZINC140608,
AKOS013018452,
CCG-243518,
V2877,
(E)-1-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one,
C11H11Cl2NO,
ZINC00140608,
ACN-042536,
CID5713921,
3',4'-dichloro-3-dimethylaminoacrylophenone,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 243.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.115g/mol |
| Monoisotopic Mass | 243.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number