| CAS Number | 75175-76-7 |
| Catalog Number | AG01EH5H(AGN-PC-0BZAPR) |
| Chemical Name | (2E)-3-(Dimethylamino)-1-(2-fluorophenyl)prop-2-en-1-one |
| IUPAC Name | (E)-3-(dimethylamino)-1-(2-fluorophenyl)prop-2-en-1-one |
| InChI | InChI=1S/C11H12FNO/c1-13(2)8-7-11(14)9-5-3-4-6-10(9)12/h3-8H,1-2H3/b8-7+ |
| InChI Key | CJIYFDMXXQURKM-BQYQJAHWSA-N |
| MDL Number | MFCD00172154 |
| Molecular Formula | C11H12FNO |
| Molecular Weight | 193.2175 |
| SMILES | CN(C)C=CC(=O)C1=CC=CC=C1F |
| Synonyms | (2E)-3-(dimethylamino)-1-(2-fluorophenyl)prop-2-en-1-one,
75175-76-7,
SMR000169491,
AC1LRX1X,
MLS000546321,
SCHEMBL2210433,
SCHEMBL2210439,
CHEMBL1871154,
HMS2419J21,
ZINC1391558,
AKOS005092567,
FCH4061585,
FCH5452118,
BBV-37747245,
5G-941,
(E)-3-(dimethylamino)-1-(2-fluorophenyl)prop-2-en-1-one,
2-Propen-1-one, 3-(dimethylamino)-1-(2-fluorophenyl)-,
CID1478871,
3-(dimethylamino)-1-(2-fluorophenyl)-2-propen-1-one,
138716-19-5,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 193.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.221g/mol |
| Monoisotopic Mass | 193.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number