4-Bromo-1-naphthaldehyde - CAS 50672-84-9
Catalog: |
BB027175 |
Product Name: |
4-Bromo-1-naphthaldehyde |
CAS: |
50672-84-9 |
Synonyms: |
4-bromo-1-naphthalenecarboxaldehyde; 4-bromonaphthalene-1-carbaldehyde |
IUPAC Name: | 4-bromonaphthalene-1-carbaldehyde |
Description: | 4-Bromo-1-naphthaldehyde (CAS# 50672-84-9) is used in the synthesis and antimicrobial activity of chalcones and flavones. |
Molecular Weight: | 235.08 |
Molecular Formula: | C11H7BrO |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC=C2Br)C=O |
InChI: | InChI=1S/C11H7BrO/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-7H |
InChI Key: | SESASPRCAIMYLA-UHFFFAOYSA-N |
MDL: | MFCD11101026 |
LogP: | 3.41480 |
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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Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.96803 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.96803 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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