| CAS Number | 1261959-78-7 |
| Catalog Number | AG000S9P(AGN-PC-0WCCQG) |
| Chemical Name | 1-(5-Bromo-2-chlorophenyl)pyrrolidine |
| IUPAC Name | 1-(5-bromo-2-chlorophenyl)pyrrolidine |
| InChI | InChI=1S/C10H11BrClN/c11-8-3-4-9(12)10(7-8)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2 |
| InChI Key | YHSHHIFONFVBHU-UHFFFAOYSA-N |
| MDL Number | MFCD18311878 |
| Molecular Formula | C10H11BrClN |
| Molecular Weight | 260.5580 |
| SMILES | BrC1=CC=C(C(=C1)N1CCCC1)Cl |
| Synonyms | 1-(5-Bromo-2-chlorophenyl)pyrrolidine,
1261959-78-7,
ACMC-209b7v,
CTK4B5038,
DTXSID10682179,
ANW-18809,
MFCD18311878,
ZINC65337424,
AKOS015834759,
CJ-21062,
AJ-115144,
Pyrrolidine, 1-(5-bromo-2-chlorophenyl)-,
ST2403226,
TR-035569,
Z9220,
B-3725,
I11-659,
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