| CAS Number | 1185301-95-4 |
| Catalog Number | AG009NHV(AGN-PC-0WBW9D) |
| Chemical Name | 3-(3,4-Dichlorophenoxy)pyrrolidine hydrochloride |
| IUPAC Name | 3-(3,4-dichlorophenoxy)pyrrolidine;hydrochloride |
| InChI | InChI=1S/C10H11Cl2NO.ClH/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8;/h1-2,5,8,13H,3-4,6H2;1H |
| InChI Key | SHIHUVDMFXISMP-UHFFFAOYSA-N |
| MDL Number | MFCD09997068 |
| Molecular Formula | C10H12Cl3NO |
| Molecular Weight | 268.5674 |
| SMILES | C1=CC(=C(C=C1OC2CCNC2)Cl)Cl.Cl |
| Synonyms | 3-(3,4-DICHLOROPHENOXY)PYRROLIDINE HYDROCHLORIDE,
1185301-95-4,
SCHEMBL10605496,
CTK6H1190,
0451AD,
AKOS015846068,
MCULE-4397260317,
NE30370,
RP29562,
TR-047505,
Z1416200968,
C10H12Cl3NO,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.562g/mol |
| Monoisotopic Mass | 266.998g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number