| CAS Number | 329025-26-5 |
| Catalog Number | AG00CME2(AGN-PC-0WG3WX) |
| Chemical Name | 4-(3-Bromophenyl)Tetrahydro-2H-Pyran-4-Carboxamide |
| IUPAC Name | 4-(3-bromophenyl)oxane-4-carboxamide |
| InChI | InChI=1S/C12H14BrNO2/c13-10-3-1-2-9(8-10)12(11(14)15)4-6-16-7-5-12/h1-3,8H,4-7H2,(H2,14,15) |
| InChI Key | ZBBPOKGRGPCSHF-UHFFFAOYSA-N |
| MDL Number | MFCD18382580 |
| Molecular Formula | C12H14BrNO2 |
| Molecular Weight | 284.1491 |
| SMILES | Brc1cccc(c1)C1(CCOCC1)C(=O)N |
| Synonyms | 329025-26-5,
4-(3-BROMOPHENYL)TETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE,
4-(3-bromophenyl)oxane-4-carboxamide,
2H-PYRAN-4-CARBOXAMIDE, 4-(3-BROMOPHENYL)TETRAHYDRO-,
SCHEMBL332753,
CTK4G9541,
DTXSID40573960,
ZBBPOKGRGPCSHF-UHFFFAOYSA-N,
KS-00001AO3,
MFCD18382580,
ZINC34580570,
AKOS027252815,
CS-0038991,
Tetrahydro-4-(3-bromophenyl)2H-pyran-4-carboxamide,
tetrahydro-4-(3-bromophenyl)-2H-pyran-4-carboxamide,
4-(3-bromophenyl)-tetrahydro-2h-pyran-4-carboxamide,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.153g/mol |
| Monoisotopic Mass | 283.021g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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