| CAS Number | 1261895-87-7 |
| Catalog Number | AG000S3T(AGN-PC-0WCCQF) |
| Chemical Name | Pyrrolidine, 1-(3-bromo-5-chlorophenyl)- |
| IUPAC Name | 1-(3-bromo-5-chlorophenyl)pyrrolidine |
| InChI | InChI=1S/C10H11BrClN/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4H2 |
| InChI Key | ZUVZTBKZTVMAIC-UHFFFAOYSA-N |
| MDL Number | MFCD18311877 |
| Molecular Formula | C10H11BrClN |
| Molecular Weight | 260.5580 |
| SMILES | Brc1cc(cc(c1)Cl)N1CCCC1 |
| Synonyms | 1-(3-Bromo-5-chlorophenyl)pyrrolidine,
1261895-87-7,
ACMC-209b3a,
CTK4B5014,
DTXSID50682178,
ANW-18644,
MFCD18311877,
ZINC65337422,
AKOS015834247,
CJ-21061,
AJ-115143,
Pyrrolidine, 1-(3-bromo-5-chlorophenyl)-,
TR-035552,
ST24021033,
Z9102,
B-3722,
I11-666,
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