3-Phenyl-3,4-dihydro-2H-1,4-benzoxazin-2-one - CAS 107624-49-7
Catalog: |
BB002113 |
Product Name: |
3-Phenyl-3,4-dihydro-2H-1,4-benzoxazin-2-one |
CAS: |
107624-49-7 |
Synonyms: |
3-phenyl-3,4-dihydro-1,4-benzoxazin-2-one; 3-phenyl-3,4-dihydro-1,4-benzoxazin-2-one |
IUPAC Name: | 3-phenyl-3,4-dihydro-1,4-benzoxazin-2-one |
Description: | 3-Phenyl-3,4-dihydro-2H-1,4-benzoxazin-2-one (CAS# 107624-49-7 ) is a useful research chemical. |
Molecular Weight: | 225.24 |
Molecular Formula: | C14H11NO2 |
Canonical SMILES: | C1=CC=C(C=C1)C2C(=O)OC3=CC=CC=C3N2 |
InChI: | InChI=1S/C14H11NO2/c16-14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)17-14/h1-9,13,15H |
InChI Key: | INHFAIJYNMXTSE-UHFFFAOYSA-N |
LogP: | 2.89680 |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.078978594 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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