| CAS Number | 1197466-46-8 |
| Catalog Number | AG019WWK(AGN-PC-0WOQNA) |
| Chemical Name | 4-(Pyrrolidin-2-yl)phenol hydrobromide |
| IUPAC Name | 4-pyrrolidin-2-ylphenol;hydrobromide |
| InChI | InChI=1S/C10H13NO.BrH/c12-9-5-3-8(4-6-9)10-2-1-7-11-10;/h3-6,10-12H,1-2,7H2;1H |
| InChI Key | GTJSBHPOBQQBRS-UHFFFAOYSA-N |
| MDL Number | MFCD12913241 |
| Molecular Formula | C10H14BrNO |
| Molecular Weight | 244.1283 |
| SMILES | Br.OC1=CC=C(C2NCCC2)C=C1 |
| Synonyms | 4-(pyrrolidin-2-yl)phenol hydrobromide,
1197466-46-8,
AC1Q23O0,
CTK7J9213,
AKOS015934898,
MCULE-4924738130,
EN300-53354,
Z803145548,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.132g/mol |
| Monoisotopic Mass | 243.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number