| CAS Number | 1365273-01-3 |
| Catalog Number | AG00121H(AGN-PC-0WABUS) |
| Chemical Name | 6-Bromo-4-propyl-2H-1,4-benzoxazin-3-one |
| IUPAC Name | 6-bromo-4-propyl-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C11H12BrNO2/c1-2-5-13-9-6-8(12)3-4-10(9)15-7-11(13)14/h3-4,6H,2,5,7H2,1H3 |
| InChI Key | HLIKGVGAPMAWBY-UHFFFAOYSA-N |
| MDL Number | MFCD21609655 |
| Molecular Formula | C11H12BrNO2 |
| Molecular Weight | 270.1225 |
| SMILES | CCCN1C(=O)COc2c1cc(Br)cc2 |
| Synonyms | 6-Bromo-4-propyl-2H-1,4-benzoxazin-3-one,
1365273-01-3,
ACMC-209c96,
CTK8B0585,
DTXSID40742932,
ANW-20152,
MFCD21609655,
ZINC85477141,
TC-108897,
V2648,
B-8920,
6-Bromo-4-propyl-2H-1,4-benzoxazin-3(4H)-one,
2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-propyl-,
C11H12BrNO2,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.126g/mol |
| Monoisotopic Mass | 269.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number