| CAS Number | 1334500-00-3 |
| Catalog Number | AG009X2X(AGN-PC-0WA4GN) |
| Chemical Name | 1-Bromo-3-chloro-5-piperidinobenzene HCl |
| IUPAC Name | 1-(3-bromo-5-chlorophenyl)piperidine;hydrochloride |
| InChI | InChI=1S/C11H13BrClN.ClH/c12-9-6-10(13)8-11(7-9)14-4-2-1-3-5-14;/h6-8H,1-5H2;1H |
| InChI Key | WRNKGLMNNAWBDV-UHFFFAOYSA-N |
| MDL Number | MFCD20231461 |
| Molecular Formula | C11H14BrCl2N |
| Molecular Weight | 311.0456 |
| SMILES | Clc1cc(Br)cc(c1)N1CCCCC1.Cl |
| Synonyms | 1-Bromo-3-chloro-5-piperidinobenzene HCl,
1334500-00-3,
C11H13BrClN.HCl,
1-(3-Bromo-5-chlorophenyl)piperidine hydrochloride,
1-Bromo-3-chloro-5-piperidinobenzene hydrochloride,
MFCD20231461,
AKOS015888952,
Z9708,
B-7157,
I01-16216,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.044g/mol |
| Monoisotopic Mass | 308.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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