| CAS Number | 1345471-19-3 |
| Catalog Number | AG007ZXV(AGN-PC-0BGICH) |
| Chemical Name | 6-Bromo-3-methyl-3,4-dihydro-2H-1,5-benzodioxepine |
| IUPAC Name | 6-bromo-3-methyl-3,4-dihydro-2H-1,5-benzodioxepine |
| InChI | InChI=1S/C10H11BrO2/c1-7-5-12-9-4-2-3-8(11)10(9)13-6-7/h2-4,7H,5-6H2,1H3 |
| InChI Key | SVQYBLHUCPEMDG-UHFFFAOYSA-N |
| MDL Number | MFCD20441881 |
| Molecular Formula | C10H11BrO2 |
| Molecular Weight | 243.0971 |
| SMILES | CC1COc2c(OC1)cccc2Br |
| Synonyms | 6-Bromo-3-methyl-3,4-dihydro-2H-1,5-benzodioxepine,
1345471-19-3,
ACMC-209bv2,
CTK8B0225,
DTXSID70718408,
ANW-19644,
MFCD20441881,
AKOS026672738,
TC-108389,
Z9766,
K-4238,
C10H11BrO2,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.1g/mol |
| Monoisotopic Mass | 241.994g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number