| CAS Number | 110405-86-2 |
| Catalog Number | AG01A3GJ(AGN-PC-05DXN3) |
| Chemical Name | 2-Chloro-6-(pyrrolidin-1-yl)benzaldehyde |
| IUPAC Name | 2-chloro-6-pyrrolidin-1-ylbenzaldehyde |
| InChI | InChI=1S/C11H12ClNO/c12-10-4-3-5-11(9(10)8-14)13-6-1-2-7-13/h3-5,8H,1-2,6-7H2 |
| InChI Key | AFHHLLAGAHZCKB-UHFFFAOYSA-N |
| MDL Number | MFCD11156344 |
| Molecular Formula | C11H12ClNO |
| Molecular Weight | 209.6721 |
| SMILES | ClC1=C(C=O)C(N2CCCC2)=CC=C1 |
| Synonyms | 2-chloro-6-(pyrrolidin-1-yl)benzaldehyde,
110405-86-2,
SCHEMBL10713747,
AFHHLLAGAHZCKB-UHFFFAOYSA-N,
ZINC20078906,
AKOS000260433,
NE28212,
DA-47872,
FT-0712326,
A1-07894,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.673g/mol |
| Monoisotopic Mass | 209.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number