| CAS Number | 1280786-96-0 |
| Catalog Number | AG000XS6(AGN-PC-09PZSK) |
| Chemical Name | 1-Bromo-4-(1-Phenyl-1-Pyrrolidinomethyl)Benzene |
| IUPAC Name | 1-[(4-bromophenyl)-phenylmethyl]pyrrolidine |
| InChI | InChI=1S/C17H18BrN/c18-16-10-8-15(9-11-16)17(19-12-4-5-13-19)14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12-13H2 |
| InChI Key | DFLJXKKHZUELSW-UHFFFAOYSA-N |
| MDL Number | MFCD18783207 |
| Molecular Formula | C17H18BrN |
| Molecular Weight | 316.2355 |
| SMILES | BrC1C=CC(=CC=1)C(C1C=CC=CC=1)N1CCCC1 |
| Synonyms | 1280786-96-0,
1-((4-Bromophenyl)(phenyl)methyl)pyrrolidine,
1-Bromo-4-(1-phenyl-1-pyrrolidinomethyl)benzene,
1-[(4-Bromophenyl)(phenyl)methyl]pyrrolidine,
ACMC-209bej,
C17H18BrN,
CTK8A9992,
DTXSID20682504,
ANW-19049,
MFCD18783207,
AKOS015888458,
AX8229910,
TC-107794,
ST24020964,
Z9421,
A-3212,
Pyrrolidine, 1-[(4-bromophenyl)phenylmethyl]-,
I01-11103,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.242g/mol |
| Monoisotopic Mass | 315.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number