3,5-Dibromo-4-hydroxybenzaldehyde - CAS 2973-77-5
Catalog: |
BB020297 |
Product Name: |
3,5-Dibromo-4-hydroxybenzaldehyde |
CAS: |
2973-77-5 |
Synonyms: |
3,5-dibromo-4-hydroxybenzaldehyde |
IUPAC Name: | 3,5-dibromo-4-hydroxybenzaldehyde |
Description: | 3,5-Dibromo-4-hydroxybenzaldehyde (CAS# 2973-77-5) is a marine antibiotic derived from marine bacteria (organism). |
Molecular Weight: | 279.91 |
Molecular Formula: | C7H4Br2O2 |
Canonical SMILES: | C1=C(C=C(C(=C1Br)O)Br)C=O |
InChI: | InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H |
InChI Key: | SXRHGLQCOLNZPT-UHFFFAOYSA-N |
Boiling Point: | 273.3 °C at 760 mmHg |
Purity: | 98 % |
Density: | 2.122 g/cm3 |
MDL: | MFCD00016980 |
LogP: | 2.72970 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
18088100 | 20080101 | Bromophenols from the marine red alga Polysiphonia urceolata with DPPH radical scavenging activity | Journal of natural products |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.85576 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.85780 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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