| CAS Number | 68579-13-5 |
| Catalog Number | AG01B4UO(AGN-PC-0CZQR2) |
| Chemical Name | 5-Chloro-2-methyl-2,3-dihydro-1H-indole |
| IUPAC Name | 5-chloro-2-methyl-2,3-dihydro-1H-indole |
| InChI | InChI=1S/C9H10ClN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6,11H,4H2,1H3 |
| InChI Key | LFMPGQVKFLTDCT-UHFFFAOYSA-N |
| MDL Number | MFCD20484349 |
| Molecular Formula | C9H10ClN |
| Molecular Weight | 167.6354 |
| SMILES | CC1NC2=C(C=C(C=C2)Cl)C1 |
| Synonyms | 5-chloro-2-methyl-2,3-dihydro-1H-indole,
68579-13-5,
SCHEMBL1734493,
LFMPGQVKFLTDCT-UHFFFAOYSA-N,
(RS)-5-Chloro-2-methyl-2,3-dihydro-1H-indole,
5-chloro-2-methylindoline,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.636g/mol |
| Monoisotopic Mass | 167.05g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number