4-Chloro-2,3,6-trimethylquinoline - CAS 1203-71-0
Catalog: |
BB070492 |
Product Name: |
4-Chloro-2,3,6-trimethylquinoline |
CAS: |
1203-71-0 |
Synonyms: |
4-CHLORO-2,3,6-TRIMETHYLQUINOLINE |
IUPAC Name: | 4-chloro-2,3,6-trimethylquinoline |
Molecular Weight: | 205.68 |
Molecular Formula: | C12H12ClN |
Canonical SMILES: | CC1=CC2=C(C(=C(N=C2C=C1)C)C)Cl |
InChI: | InChI=1S/C12H12ClN/c1-7-4-5-11-10(6-7)12(13)8(2)9(3)14-11/h4-6H,1-3H3 |
InChI Key: | IUQCFVPXSUQQSC-UHFFFAOYSA-N |
References: | Burrows, K.D., et.al. Eur. Pat. Appl. EP 318225 A2, 34, (1989). |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.0658271 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.0658271 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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