| CAS Number | 3680-41-9 |
| Catalog Number | AG00C649(AGN-PC-0WB4NV) |
| Chemical Name | 1-(2-Bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol |
| IUPAC Name | 1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol |
| InChI | InChI=1S/C13H18BrNO2/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15/h1-2,5-6,11,16H,3-4,7-10H2 |
| InChI Key | ZPUOKDVHZIOSSX-UHFFFAOYSA-N |
| MDL Number | MFCD03706127 |
| Molecular Formula | C13H18BrNO2 |
| Molecular Weight | 300.1915 |
| SMILES | N1(CCCC1)CC(O)COC1C=CC=CC=1Br |
| Synonyms | 3680-41-9,
1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol,
CHEMBRDG-BB 6801729,
1-(2-Bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol,
AC1MF6HW,
Cambridge id 6801729,
CTK4H7172,
DTXSID30387790,
ZX-CM017017,
MFCD03706127,
AKOS022184539,
ACM3680419,
MCULE-2131307150,
ABA-10164075,
BC6234503,
Y-0755,
CID2914510,
1-(2-bromophenoxy)-3-pyrrolidin-1-yl-propan-2-ol,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.196g/mol |
| Monoisotopic Mass | 299.052g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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