| CAS Number | 870841-69-3 |
| Catalog Number | AG019KME(AGN-PC-0WO3IE) |
| Chemical Name | 3-Fluoro-4-(1H-imidazol-1-yl)benzaldehyde |
| IUPAC Name | 3-fluoro-4-imidazol-1-ylbenzaldehyde |
| InChI | InChI=1S/C10H7FN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-7H |
| InChI Key | WRWZTKFRWOEVPV-UHFFFAOYSA-N |
| MDL Number | MFCD09376376 |
| Molecular Formula | C10H7FN2O |
| Molecular Weight | 190.1738 |
| SMILES | FC1=C(N2C=NC=C2)C=CC(C=O)=C1 |
| Synonyms | 3-fluoro-4-(1H-imidazol-1-yl)benzaldehyde,
870841-69-3,
3-fluoro-4-(1H-imidazol-1-yl)-benzaldehyde,
EN300-27486,
A1-10012,
Benzaldehyde, 3-fluoro-4-(1H-imidazol-1-yl)-,
AC1Q4KZU,
SCHEMBL1239525,
CTK7H9266,
WRWZTKFRWOEVPV-UHFFFAOYSA-N,
ZINC12505546,
AKOS000117935,
MCULE-6335040318,
NE53388,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.177g/mol |
| Monoisotopic Mass | 190.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number