| CAS Number | 780801-09-4 |
| Catalog Number | AG018SCQ(AGN-PC-0WBPWR) |
| Chemical Name | 1-(2-Bromopyridin-3-yl)cyclohexan-1-ol |
| IUPAC Name | 1-(2-bromopyridin-3-yl)cyclohexan-1-ol |
| InChI | InChI=1S/C11H14BrNO/c12-10-9(5-4-8-13-10)11(14)6-2-1-3-7-11/h4-5,8,14H,1-3,6-7H2 |
| InChI Key | SRFPBPKLLFLQEN-UHFFFAOYSA-N |
| MDL Number | MFCD27928707 |
| Molecular Formula | C11H14BrNO |
| Molecular Weight | 256.1390 |
| SMILES | OC1(C2=C(Br)N=CC=C2)CCCCC1 |
| Synonyms | 1-(2-Bromopyridin-3-yl)cyclohexan-1-ol,
780801-09-4,
Cyclohexanol, 1-(2-bromo-3-pyridinyl)-,
ZINC98213660,
AKOS026676688,
F8889-8481,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.143g/mol |
| Monoisotopic Mass | 255.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number