3,4-Dichloro-2-fluoroaniline - CAS 886762-39-6
Catalog: |
BB039138 |
Product Name: |
3,4-Dichloro-2-fluoroaniline |
CAS: |
886762-39-6 |
Synonyms: |
3,4-dichloro-2-fluoroaniline; 3,4-dichloro-2-fluoroaniline |
IUPAC Name: | 3,4-dichloro-2-fluoroaniline |
Description: | 3,4-Dichloro-2-fluoroaniline (CAS# 886762-39-6 ) is a useful research chemical. |
Molecular Weight: | 180.01 |
Molecular Formula: | C6H4Cl2FN |
Canonical SMILES: | C1=CC(=C(C(=C1N)F)Cl)Cl |
InChI: | InChI=1S/C6H4Cl2FN/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2 |
InChI Key: | ZPTBUEKFZSYXBD-UHFFFAOYSA-N |
Boiling Point: | 255.8 °C at 760 mmHg |
Density: | 1.502 g/cm3 |
Appearance: | Solid |
LogP: | 3.29590 |
Publication Number | Title | Priority Date |
CN-111763215-A | Compound with nitrogen-containing heterocyclic structure and preparation method and application thereof | 20200721 |
CN-111763215-B | Compound with nitrogen-containing heterocyclic structure and preparation method and application thereof | 20200721 |
CN-113307797-A | Polysubstituted quinazoline compound and application thereof | 20200710 |
WO-2021127397-A1 | Nitrogen heterocyclic compounds and methods of use | 20191219 |
WO-2021030711-A1 | Alkynyl quinazoline compounds | 20190815 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.9704827 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.9704827 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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