| CAS Number | 69639-91-4 |
| Catalog Number | AG00IBYI(AGN-PC-0WO8EE) |
| Chemical Name | 2-(5-Bromo-2-methoxyphenyl)pyrrolidine |
| IUPAC Name | 2-(5-bromo-2-methoxyphenyl)pyrrolidine |
| InChI | InChI=1S/C11H14BrNO/c1-14-11-5-4-8(12)7-9(11)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3 |
| InChI Key | MISWUQUOGCFJPF-UHFFFAOYSA-N |
| MDL Number | MFCD02663508 |
| Molecular Formula | C11H14BrNO |
| Molecular Weight | 256.1390 |
| SMILES | COC1=C(C2NCCC2)C=C(Br)C=C1 |
| Synonyms | 2-(5-bromo-2-methoxyphenyl)pyrrolidine,
69639-91-4,
AC1NG2MB,
AC1Q44QP,
SCHEMBL7564800,
MISWUQUOGCFJPF-UHFFFAOYSA-N,
BBL020785,
MFCD02663508,
STK893475,
AKOS001476307,
MCULE-7819433682,
2-(5-bromo-2-methoxy-phenyl)-pyrrolidine,
H8906,
EN300-61687,
4-Bromo-2-(2-pyrrolidinyl)phenyl Methyl Ether,
CID4693076,
2-(5-bromo-2-methoxy-phenyl)pyrrolidine,
|
| Complexity | 188 |
| 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 | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number