3-Chloro-2-nitrobenzaldehyde - CAS 22233-52-9
Catalog: |
BB017460 |
Product Name: |
3-Chloro-2-nitrobenzaldehyde |
CAS: |
22233-52-9 |
Synonyms: |
3-chloro-2-nitrobenzaldehyde; 3-chloro-2-nitrobenzaldehyde |
IUPAC Name: | 3-chloro-2-nitrobenzaldehyde |
Description: | 3-Chloro-2-nitrobenzaldehyde (CAS# 22233-52-9) is a useful research chemical. |
Molecular Weight: | 185.56 |
Molecular Formula: | C7H4ClNO3 |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C=O |
InChI: | InChI=1S/C7H4ClNO3/c8-6-3-1-2-5(4-10)7(6)9(11)12/h1-4H |
InChI Key: | WKHILFGJMAXBNZ-UHFFFAOYSA-N |
LogP: | 2.58390 |
Publication Number | Title | Priority Date |
CN-109651189-A | A kind of benzoyl hydrazone class neuraminidase inhibitor and its preparation method and application | 20190131 |
US-2020055874-A1 | INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION | 20180820 |
WO-2020041169-A2 | Inhibitors of keap1-nrf2 protein-protein interaction | 20180820 |
TW-202021594-A | Inhibitors of keap1-nrf2 protein-protein interaction | 20180820 |
US-10947252-B2 | Inhibitors of KEAP1-Nrf2 protein-protein interaction | 20180820 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.9879707 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.9879707 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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