| CAS Number | 749931-20-2 |
| Catalog Number | AG00G7M4(AGN-PC-0BVO4S) |
| Chemical Name | 4-bromo-2-fluoro-5-methoxy-benzaldehyde |
| IUPAC Name | 4-bromo-2-fluoro-5-methoxybenzaldehyde |
| InChI | InChI=1S/C8H6BrFO2/c1-12-8-2-5(4-11)7(10)3-6(8)9/h2-4H,1H3 |
| InChI Key | TWHBNRXZMJJLJO-UHFFFAOYSA-N |
| MDL Number | MFCD17012743 |
| Molecular Formula | C8H6BrFO2 |
| Molecular Weight | 233.0344 |
| SMILES | O=CC1=CC(OC)=C(Br)C=C1F |
| Synonyms | 4-bromo-2-fluoro-5-methoxybenzaldehyde,
749931-20-2,
4-Bromo-2-fluoro-5-methoxy-benzaldehyde,
Benzaldehyde, 4-bromo-2-fluoro-5-methoxy-,
SCHEMBL3561863,
TWHBNRXZMJJLJO-UHFFFAOYSA-N,
MFCD17012743,
ZINC145543278,
4-bromo-2-fluoro-5-methoxy-benzaldeyde,
AS-43026,
CS-0089647,
FT-0723223,
W-4741,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.036g/mol |
| Monoisotopic Mass | 231.954g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number