| CAS Number | 1234707-32-4 |
| Catalog Number | AG01A3Q2 |
| Chemical Name | 2-(2-bromophenyl)-5-chloro-4H-3,1-benzoxazin-4-one |
| IUPAC Name | 2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one |
| 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 |
| MDL Number | MFCD31800416 |
| Molecular Formula | C14H7BrClNO2 |
| Molecular Weight | 336.5679 |
| SMILES | O=C1OC(C2=CC=CC=C2Br)=NC3=CC=CC(Cl)=C13 |
| Synonyms | CHEMBL1172443,
2-(2-bromophenyl)-5-chloro-4H-3,1-benzoxazin-4-one,
1234707-32-4,
SCHEMBL9985824,
BDBM50321750,
5-Chloro-2-(2-bromophenyl)-4H-benzo[d][1,3]oxazin-4-one,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.569g/mol |
| Monoisotopic Mass | 334.935g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number