| CAS Number | 1257664-93-9 |
| Catalog Number | AG000OOG(AGN-PC-09PZHF) |
| Chemical Name | 1-Bromo-4-Chloro-2-Pyrrolidinobenzene |
| IUPAC Name | 1-(2-bromo-5-chlorophenyl)pyrrolidine |
| InChI | InChI=1S/C10H11BrClN/c11-9-4-3-8(12)7-10(9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2 |
| InChI Key | PABHJXWLFBZGKK-UHFFFAOYSA-N |
| MDL Number | MFCD18087713 |
| Molecular Formula | C10H11BrClN |
| Molecular Weight | 260.5580 |
| SMILES | BrC1=CC=C(C=C1N1CCCC1)Cl |
| Synonyms | 1-(2-Bromo-5-chlorophenyl)pyrrolidine,
1257664-93-9,
1-Bromo-4-chloro-2-pyrrolidinobenzene,
ACMC-209b09,
CTK4B4776,
DTXSID40682142,
ANW-18535,
MFCD18087713,
ZINC65337347,
AKOS015835245,
AJ-115106,
Pyrrolidine, 1-(2-bromo-5-chlorophenyl)-,
ST2403083,
TR-035500,
Z8983,
B-2349,
I01-10778,
C10H11BrClN,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.559g/mol |
| Monoisotopic Mass | 258.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number