| CAS Number | 1698991-31-9 |
| Catalog Number | AG01C1T7 |
| Chemical Name | 8-chloro-5-methyl-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 8-chloro-5-methyl-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C10H12ClN/c1-7-4-5-9(11)10-8(7)3-2-6-12-10/h4-5,12H,2-3,6H2,1H3 |
| InChI Key | ONUHYBTVSQFHDI-UHFFFAOYSA-N |
| MDL Number | MFCD29047443 |
| Molecular Formula | C10H12ClN |
| Molecular Weight | 181.662 |
| SMILES | CC1=C2C(NCCC2)=C(Cl)C=C1 |
| Synonyms | 8-chloro-5-methyl-1,2,3,4-tetrahydroquinoline,
1698991-31-9,
SCHEMBL10912068,
AKOS024060563,
ZINC168233240,
Z2238932942,
|
| Complexity | 160 |
| 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 | 3.3 |
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Certificate of Analysis
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