| CAS Number | 1291487-20-1 |
| Catalog Number | AG000YWT(AGN-PC-0AC0VB) |
| Chemical Name | 1-(4-Bromo-3-chlorophenyl)pyrrolidine |
| IUPAC Name | 1-(4-bromo-3-chlorophenyl)pyrrolidine |
| InChI | InChI=1S/C10H11BrClN/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2 |
| InChI Key | LOFHFDVFVPSKSD-UHFFFAOYSA-N |
| MDL Number | MFCD18837620 |
| Molecular Formula | C10H11BrClN |
| Molecular Weight | 260.5580 |
| SMILES | c1(c(ccc(N2CCCC2)c1)Br)Cl |
| Synonyms | 1-(4-Bromo-3-chlorophenyl)pyrrolidine,
1291487-20-1,
1-Bromo-2-chloro-4-pyrrolidinobenzene,
ACMC-209bg8,
CTK8B0018,
DTXSID30716485,
ANW-19110,
MFCD18837620,
ZINC74934315,
AKOS015888484,
AJ-121376,
Pyrrolidine, 1-(4-bromo-3-chlorophenyl)-,
TC-107855,
ST24021091,
Z9463,
A-3148,
I01-10785,
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