5-Bromo-2-fluoro-4-methoxybenzaldehyde - CAS 473417-48-0
Catalog: |
BB055326 |
Product Name: |
5-Bromo-2-fluoro-4-methoxybenzaldehyde |
CAS: |
473417-48-0 |
Synonyms: |
5-BROMO-2-FLUORO-4-METHOXYBENZALDEHYDE; Benzaldehyde, 5-bromo-2-fluoro-4-methoxy-; 2-Fluoro-4-methoxy-5-bromobenzaldehyde |
IUPAC Name: | 5-bromo-2-fluoro-4-methoxybenzaldehyde |
Description: | 5-Bromo-2-fluoro-4-methoxybenzaldehyde |
Molecular Weight: | 233.03 |
Molecular Formula: | C8H6BrFO2 |
Canonical SMILES: | COC1=C(C=C(C(=C1)F)C=O)Br |
InChI: | InChI=1S/C8H6BrFO2/c1-12-8-3-7(10)5(4-11)2-6(8)9/h2-4H,1H3 |
InChI Key: | MUHOGOFEMSTOPZ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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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: | 231.95352 |
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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