2-(2-Chlorophenyl)-4H-3,1-benzoxazin-4-one - CAS 4765-51-9
Catalog: |
BB048647 |
Product Name: |
2-(2-Chlorophenyl)-4H-3,1-benzoxazin-4-one |
CAS: |
4765-51-9 |
Synonyms: |
4H-3,1-Benzoxazin-4-one, 2-(2-chlorophenyl)-; 2-(2-chlorophenyl)benzo[d]1,3-oxazin-4-one; 2-(o-Chlorophenyl)-4H-3,1-benzoxazin-4-one |
IUPAC Name: | 2-(2-chlorophenyl)-3,1-benzoxazin-4-one |
Description: | 2-(2-Chlorophenyl)-4H-3,1-benzoxazin-4-one (CAS# 4765-51-9 ) is a useful research chemical. |
Molecular Weight: | 257.67 |
Molecular Formula: | C14H8ClNO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3Cl |
InChI: | InChI=1S/C14H8ClNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H |
InChI Key: | TYZXFRGEMSHXIR-UHFFFAOYSA-N |
Boiling Point: | 380.4±21.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 369 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.0243562 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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