| CAS Number | 1373223-13-2 |
| Catalog Number | AG009K3Q(AGN-PC-0WNWAO) |
| Chemical Name | 3-Bromo-2-fluoro-4-methylbenzaldehyde |
| IUPAC Name | 3-bromo-2-fluoro-4-methylbenzaldehyde |
| InChI | InChI=1S/C8H6BrFO/c1-5-2-3-6(4-11)8(10)7(5)9/h2-4H,1H3 |
| InChI Key | AZBJQXQTTQMVIT-UHFFFAOYSA-N |
| MDL Number | MFCD22201081 |
| Molecular Formula | C8H6BrFO |
| Molecular Weight | 217.0350 |
| SMILES | O=CC1=CC=C(C)C(Br)=C1F |
| Synonyms | 3-bromo-2-fluoro-4-methylbenzaldehyde,
1373223-13-2,
3-Bromo-2-fluoro-4-methyl-benzaldehyde,
SCHEMBL19641559,
MFCD22201081,
ZINC95635157,
AS-36722,
Z-5496,
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| Complexity | 151 |
| 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 | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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