2-Bromo-4-nitrobenzaldehyde - CAS 5274-71-5
Catalog: |
BB027928 |
Product Name: |
2-Bromo-4-nitrobenzaldehyde |
CAS: |
5274-71-5 |
Synonyms: |
2-bromo-4-nitrobenzaldehyde; 2-bromo-4-nitrobenzaldehyde |
IUPAC Name: | 2-bromo-4-nitrobenzaldehyde |
Description: | 2-Bromo-4-nitrobenzaldehyde (CAS# 5274-71-5) is a useful research chemical. |
Molecular Weight: | 230.02 |
Molecular Formula: | C7H4BrNO3 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])Br)C=O |
InChI: | InChI=1S/C7H4BrNO3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-4H |
InChI Key: | XKDLLBUNDADXAA-UHFFFAOYSA-N |
Boiling Point: | 553.5 °C at 760 mmHg |
Density: | 1.5 g/cm3 |
LogP: | 2.69300 |
Publication Number | Title | Priority Date |
WO-2021065980-A1 | Bet degrader | 20190930 |
CN-106810566-A | One class thiophene condenses Ben Bing oxadiazole derivatives and its synthetic method | 20170119 |
CN-107108552-A | Heterocyclic kinase inhibitors | 20140805 |
CN-103554139-A | Thiophene condensed 2,1,3-benzoxadiazole derivative and polymer thereof | 20131108 |
CN-103554139-B | Thiophene condensed 2,1,3-benzoxadiazole derivative and polymer thereof | 20131108 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.93746 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.93746 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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