| CAS Number | 1379358-86-7 |
| Catalog Number | AG0017OB |
| Chemical Name | 3-(Bromomethyl)-5-fluorobenzaldehyde |
| IUPAC Name | 3-(bromomethyl)-5-fluorobenzaldehyde |
| InChI | InChI=1S/C8H6BrFO/c9-4-6-1-7(5-11)3-8(10)2-6/h1-3,5H,4H2 |
| InChI Key | KTRILTQPYHNWMJ-UHFFFAOYSA-N |
| MDL Number | MFCD18378635 |
| Molecular Formula | C8H6BrFO |
| Molecular Weight | 217.0350 |
| SMILES | FC1=CC(C=O)=CC(CBr)=C1 |
| Synonyms | 3-(Bromomethyl)-5-fluorobenzaldehyde,
1379358-86-7,
MFCD18378635,
ZINC98210778,
FCH1367854,
PS-9999,
Benzaldehyde, 3-(bromomethyl)-5-fluoro-,
PC500537,
N/A,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.037g/mol |
| Monoisotopic Mass | 215.959g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number