| CAS Number | 882873-84-9 |
| Catalog Number | AG00IF19(AGN-PC-0OLLAS) |
| Chemical Name | (2E)-3-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
| IUPAC Name | (E)-3-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
| InChI | InChI=1S/C12H12F3NO/c1-16(2)8-7-11(17)9-3-5-10(6-4-9)12(13,14)15/h3-8H,1-2H3/b8-7+ |
| InChI Key | AHNAAWZIFOCBDY-BQYQJAHWSA-N |
| MDL Number | MFCD01570013 |
| Molecular Formula | C12H12F3NO |
| Molecular Weight | 243.2250 |
| SMILES | CN(/C=C/C(=O)c1ccc(cc1)C(F)(F)F)C |
| Synonyms | (2E)-3-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one,
882873-84-9,
AC1NWW7Z,
SCHEMBL325284,
AHNAAWZIFOCBDY-BQYQJAHWSA-N,
ZINC142375,
(E)-3-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one,
AKOS006247865,
CCG-239911,
V8601,
(E)-1-[4-(Trifluoromethyl)phenyl]-3-(dimethylamino)-2-propene-1-one,
C12H12F3NO,
ZINC00142375,
ACN-042535,
CID5714026,
3-(N,N-dimethylamino)-1-(4-trifluoromethylphenyl)propenone,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 243.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.229g/mol |
| Monoisotopic Mass | 243.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number