3-Bromobenzofuran-2-carbaldehyde - CAS 38281-52-6
Catalog: |
BB070887 |
Product Name: |
3-Bromobenzofuran-2-carbaldehyde |
CAS: |
38281-52-6 |
Synonyms: |
3-bromo-1-benzofuran-2-carbaldehyde; 2-Benzofurancarboxaldehyde, 3-bromo-; 3-bromobenzofuran-2-carbaldehyde; 3-bromo-2-benzo[b]furancarboxaldehyde |
IUPAC Name: | 3-bromo-1-benzofuran-2-carbaldehyde |
Molecular Weight: | 225.04 |
Molecular Formula: | C9H5O2Br |
Canonical SMILES: | C1=CC=C2C(=C1)C(=C(O2)C=O)Br |
InChI: | InChI=1S/C9H5BrO2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-5H |
InChI Key: | XJHLNJBEPAUFOD-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 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.94729 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.94729 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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