| CAS Number | 129540-25-6 |
| Catalog Number | AG000Z6V(AGN-PC-002F0U) |
| Chemical Name | 5-(2-Chlorophenyl)-3,4-dihydro-2H-pyrrole |
| IUPAC Name | 5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole |
| InChI | InChI=1S/C10H10ClN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5H,3,6-7H2 |
| InChI Key | LRSMQEJORMBCBW-UHFFFAOYSA-N |
| MDL Number | MFCD09037875 |
| Molecular Formula | C10H10ClN |
| Molecular Weight | 179.6461 |
| SMILES | Clc1ccccc1C1=NCCC1 |
| Synonyms | 5-(2-CHLOROPHENYL)-3,4-DIHYDRO-2H-PYRROLE,
129540-25-6,
2H-Pyrrole, 5-(2-chlorophenyl)-3,4-dihydro-,
SCHEMBL5768732,
CTK4B6313,
DTXSID60563606,
2-(2-Chlorophenyl)-1-pyrroline,
LRSMQEJORMBCBW-UHFFFAOYSA-N,
AB2775,
MFCD09037875,
ZINC34356220,
AKOS006332095,
AJ-88126,
Z2370,
5-(2-chloro-phenyl)-3,4-dihydro-2H-pyrrole,
A805949,
C10H10ClN,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.647g/mol |
| Monoisotopic Mass | 179.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number