4-Chloro-2-nitrobenzyl alcohol - CAS 22996-18-5
Catalog: |
BB017852 |
Product Name: |
4-Chloro-2-nitrobenzyl alcohol |
CAS: |
22996-18-5 |
Synonyms: |
(4-chloro-2-nitrophenyl)methanol |
IUPAC Name: | (4-chloro-2-nitrophenyl)methanol |
Description: | 4-Chloro-2-nitrobenzyl alcohol (CAS# 22996-18-5 ) is a useful research chemical. |
Molecular Weight: | 187.58 |
Molecular Formula: | C7H6ClNO3 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)[N+](=O)[O-])CO |
InChI: | InChI=1S/C7H6ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-3,10H,4H2 |
InChI Key: | OAHGNOHGHOTZQU-UHFFFAOYSA-N |
Boiling Point: | 347.6 °C at 760 mmHg |
Density: | 1.476 g/cm3 |
Appearance: | Yellow-orange powder |
MDL: | MFCD00007217 |
LogP: | 2.26370 |
Publication Number | Title | Priority Date |
CN-110526898-A | 3- indazole quinoline ketone compounds, preparation method and its in application pharmaceutically | 20180525 |
WO-2019223548-A1 | 3-oxazolinone compound, preparation method therefor and pharmaceutical application thereof | 20180525 |
CN-112334458-A | 3-indazolinone compound, preparation method and application thereof in medicine and pharmacology | 20180525 |
EP-3805212-A1 | 3-oxazolinone compound, preparation method therefor and pharmaceutical application thereof | 20180525 |
JP-2021525264-A | 3-Indazolinone compounds, their preparation methods, and their use in pharmaceuticals | 20180525 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0036207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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