| CAS Number | 1199773-07-3 |
| Catalog Number | AG000PWL(AGN-PC-0WD0NH) |
| Chemical Name | 1-(3-Bromo-5-Methylphenyl)Pyrrolidine |
| IUPAC Name | 1-(3-bromo-5-methylphenyl)pyrrolidine |
| InChI | InChI=1S/C11H14BrN/c1-9-6-10(12)8-11(7-9)13-4-2-3-5-13/h6-8H,2-5H2,1H3 |
| InChI Key | XCHZZMSGUDXAGD-UHFFFAOYSA-N |
| MDL Number | MFCD13195737 |
| Molecular Formula | C11H14BrN |
| Molecular Weight | 240.1396 |
| SMILES | BrC1C=C(C)C=C(C=1)N1CCCC1 |
| Synonyms | 1-(3-Bromo-5-methylphenyl)pyrrolidine,
1199773-07-3,
ACMC-209a4v,
SCHEMBL18278244,
CTK4B1574,
DTXSID70682094,
ANW-17405,
MFCD13195737,
ZINC40456681,
AKOS015834175,
BC298694,
CJ-20243,
AJ-103295,
Pyrrolidine, 1-(3-bromo-5-methylphenyl)-,
ST2403140,
TR-034395,
Z8145,
A-5359,
I11-665,
C11H14BrN,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.144g/mol |
| Monoisotopic Mass | 239.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number