| CAS Number | 864231-66-3 |
| Catalog Number | AG004NLX(AGN-PC-0WB45P) |
| Chemical Name | (1-Ethyl-1H-imidazol-2-YL)(phenyl)methanone |
| IUPAC Name | (1-ethylimidazol-2-yl)-phenylmethanone |
| InChI | InChI=1S/C12H12N2O/c1-2-14-9-8-13-12(14)11(15)10-6-4-3-5-7-10/h3-9H,2H2,1H3 |
| InChI Key | PACKGQQUIGILDX-UHFFFAOYSA-N |
| MDL Number | MFCD00498180 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | C1(=NC=CN1CC)C(C1C=CC=CC=1)=O |
| Synonyms | (1-ETHYL-1H-IMIDAZOL-2-YL)(PHENYL)METHANONE,
864231-66-3,
CTK5F6625,
DTXSID80586231,
1-ethylimidazol-2-yl phenyl ketone,
MFCD00498180,
SBB040003,
ZINC15636851,
AKOS000271261,
AJ-67765,
W-7208,
SR-01000196742,
SR-01000196742-1,
AKOSBBS-00002810,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.241g/mol |
| Monoisotopic Mass | 200.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number