| CAS Number | 1243165-15-2 |
| Catalog Number | AG00HHML(AGN-PC-0WAJ3J) |
| Chemical Name | 5-chloro-3,3-dimethyl-2,3-dihydro-1H-indole |
| IUPAC Name | 5-chloro-3,3-dimethyl-1,2-dihydroindole |
| InChI | InChI=1S/C10H12ClN/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-5,12H,6H2,1-2H3 |
| InChI Key | OTLDGWKRGSUXLP-UHFFFAOYSA-N |
| MDL Number | MFCD16658019 |
| Molecular Formula | C10H12ClN |
| Molecular Weight | 181.6620 |
| SMILES | CC1(C2=C(C=CC(=C2)Cl)NC1)C |
| Synonyms | 5-CHLORO-3,3-DIMETHYLINDOLINE,
1243165-15-2,
5-chloro-3,3-dimethyl-2,3-dihydro-1H-indole,
SCHEMBL1721762,
OTLDGWKRGSUXLP-UHFFFAOYSA-N,
MFCD16658019,
ZINC71484950,
AKOS017515983,
AS-42572,
AJ-118067,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.663g/mol |
| Monoisotopic Mass | 181.066g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number