| CAS Number | 223555-87-1 |
| Catalog Number | AG00I4EM(AGN-PC-0WQVMH) |
| Chemical Name | 4-(4-bromophenyl)-3,6-dihydro-2H-pyran |
| IUPAC Name | 4-(4-bromophenyl)-3,6-dihydro-2H-pyran |
| InChI | InChI=1S/C11H11BrO/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5H,6-8H2 |
| InChI Key | QXESULAHCHRLFQ-UHFFFAOYSA-N |
| MDL Number | MFCD18801100 |
| Molecular Formula | C11H11BrO |
| Molecular Weight | 239.1084 |
| SMILES | Brc1ccc(cc1)C1=CCOCC1 |
| Synonyms | 4-(4-bromophenyl)-3,6-dihydro-2H-pyran,
223555-87-1,
SCHEMBL4772120,
MFCD18801100,
ZINC95495557,
CS-0039088,
V4490,
K-6303,
C11H11BrO,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.112g/mol |
| Monoisotopic Mass | 237.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number