2-(2-bromophenyl)-5-chloro-4H-3,1-benzoxazin-4-one - CAS 1234707-32-4
Catalog: |
BB054792 |
Product Name: |
2-(2-bromophenyl)-5-chloro-4H-3,1-benzoxazin-4-one |
CAS: |
1234707-32-4 |
Synonyms: |
2-(2-bromophenyl)-5-chloro-4H-3,1-benzoxazin-4-one |
IUPAC Name: | 2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one |
Molecular Weight: | 336.57 |
Molecular Formula: | C14H7BrClNO2 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NC3=C(C(=CC=C3)Cl)C(=O)O2)Br |
InChI: | InChI=1S/C14H7BrClNO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H |
InChI Key: | WXWVDINGZQKMMS-UHFFFAOYSA-N |
Boiling Point: | 436.9±38.0 °C at 760 mmHg |
Purity: | >98% |
Density: | 1.7±0.1 g/cm3 |
Appearance: | Solid Powder |
Storage: | Store at -20°C |
Complexity: | 401 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 334.93487 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 334.93487 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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