| CAS Number | 846037-83-0 |
| Catalog Number | AG00IDET(AGN-PC-0N7GIH) |
| Chemical Name | 1H-2-Benzopyran, 8-bromo-3,4-dihydro- |
| IUPAC Name | 8-bromo-3,4-dihydro-1H-isochromene |
| InChI | InChI=1S/C9H9BrO/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3H,4-6H2 |
| InChI Key | AGVNTWBJYBSROH-UHFFFAOYSA-N |
| MDL Number | MFCD22536208 |
| Molecular Formula | C9H9BrO |
| Molecular Weight | 213.0712 |
| SMILES | Brc1c2c(ccc1)CCOC2 |
| Synonyms | 8-bromoisochroman,
8-Bromo-isochroman,
846037-83-0,
8-Bromo-3,4-dihydro-1H-2-benzopyran,
8-Bromoisochromane,
SCHEMBL5369024,
KS-00001ANP,
MFCD22536208,
ZINC39075803,
AM805907,
1H-2-Benzopyran, 8-bromo-3,4-dihydro-,
CS-0037565,
8-bromo-3,4-dihydro-1H-isochromene,
CID10608622,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.074g/mol |
| Monoisotopic Mass | 211.984g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number