6-Chloro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline - CAS 529476-80-0
Catalog: |
BB052376 |
Product Name: |
6-Chloro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline |
CAS: |
529476-80-0 |
Synonyms: |
6-Chloro-1-p-tolyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole; 1H-Pyrido[3,4-b]indole, 6-chloro-2,3,4,9-tetrahydro-1-(4-methylphenyl)- |
IUPAC Name: | 6-chloro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
Molecular Weight: | 296.79 |
Molecular Formula: | C18H17ClN2 |
Canonical SMILES: | CC1=CC=C(C=C1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)Cl |
InChI: | InChI=1S/C18H17ClN2/c1-11-2-4-12(5-3-11)17-18-14(8-9-20-17)15-10-13(19)6-7-16(15)21-18/h2-7,10,17,20-21H,8-9H2,1H3 |
InChI Key: | HXOMGWYMKDFJHO-UHFFFAOYSA-N |
Complexity: | 366 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.1080262 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.1080262 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 27.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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