3-bromo-6-fluoro-2-methoxybenzaldehyde - CAS 473416-74-9
Catalog: |
BB072035 |
Product Name: |
3-bromo-6-fluoro-2-methoxybenzaldehyde |
CAS: |
473416-74-9 |
Synonyms: |
3-BROMO-6-FLUORO-2-METHOXYBENZALDEHYDE; 3-Bromo-6-fluoro-2-methoxy-benzaldehyde |
IUPAC Name: | 3-bromo-6-fluoro-2-methoxybenzaldehyde |
Description: | 3-bromo-6-fluoro-2-methoxybenzaldehyde |
Molecular Weight: | 233.03 |
Molecular Formula: | C8H6BrFO2 |
Canonical SMILES: | COC1=C(C=CC(=C1C=O)F)Br |
InChI: | InChI=1S/C8H6BrFO2/c1-12-8-5(4-11)7(10)3-2-6(8)9/h2-4H,1H3 |
InChI Key: | DDBHANVMIQFWEO-UHFFFAOYSA-N |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.95352 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.95352 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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