3-Bromo-5-nitrosalicylaldehyde - CAS 16789-84-7
Catalog: |
BB012429 |
Product Name: |
3-Bromo-5-nitrosalicylaldehyde |
CAS: |
16789-84-7 |
Synonyms: |
3-bromo-2-hydroxy-5-nitrobenzaldehyde |
IUPAC Name: | 3-bromo-2-hydroxy-5-nitrobenzaldehyde |
Description: | 3-Bromo-5-nitrosalicylaldehyde (CAS# 16789-84-7) is a useful research chemical. |
Molecular Weight: | 246.01 |
Molecular Formula: | C7H4BrNO4 |
Canonical SMILES: | C1=C(C=C(C(=C1Br)O)C=O)[N+](=O)[O-] |
InChI: | InChI=1S/C7H4BrNO4/c8-6-2-5(9(12)13)1-4(3-10)7(6)11/h1-3,11H |
InChI Key: | BESBCGANGAEHPM-UHFFFAOYSA-N |
Boiling Point: | 299.6 ℃ at 760 mmHg |
Density: | 1.928 g/cm3 |
MDL: | MFCD00051833 |
LogP: | 2.39860 |
GHS Hazard Statement: | H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.93237 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.93237 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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