2-Chloro-3-nitrobenzaldehyde - CAS 58755-57-0
Catalog: |
BB030154 |
Product Name: |
2-Chloro-3-nitrobenzaldehyde |
CAS: |
58755-57-0 |
Synonyms: |
2-chloro-3-nitrobenzaldehyde; 2-chloro-3-nitrobenzaldehyde |
IUPAC Name: | 2-chloro-3-nitrobenzaldehyde |
Description: | 2-Chloro-3-nitrobenzaldehyde (CAS# 58755-57-0) is a useful research chemical. |
Molecular Weight: | 185.56 |
Molecular Formula: | C7H4ClNO3 |
Canonical SMILES: | C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C=O |
InChI: | InChI=1S/C7H4ClNO3/c8-7-5(4-10)2-1-3-6(7)9(11)12/h1-4H |
InChI Key: | WKIVBBWLRIFGHF-UHFFFAOYSA-N |
Boiling Point: | 293.493 °C at 760 mmHg |
Density: | 1.486 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08236804 |
LogP: | 2.58390 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021087112-A1 | Condensed bi-heterocycles as inhibiting agents for bruton's tyrosine kinase | 20191030 |
CN-111100110-A | Process for preparing 7-piperazinylbenzothiophenes or salts thereof | 20181029 |
CN-111100111-A | Method for preparing benzothiophene derivative | 20181029 |
CN-111100111-B | Method for preparing benzothiophene derivative | 20181029 |
CA-3051419-A1 | Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof | 20180817 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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