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1174372-96-3 | Methanone, (4-chlorophenyl)[2,3-dihydro-3,3-dimethyl-2-(4-methylphenoxy)-1H-indol-1-yl]-
CAS No: 1174372-96-3 Catalog No: AG000EAX MDL No:
Product Description
Catalog Number:
AG000EAX
Chemical Name:
Methanone, (4-chlorophenyl)[2,3-dihydro-3,3-dimethyl-2-(4-methylphenoxy)-1H-indol-1-yl]-
CAS Number:
1174372-96-3
Molecular Formula:
C24H22ClNO2
Molecular Weight:
391.8900
IUPAC Name:
(4-chlorophenyl)-[3,3-dimethyl-2-(4-methylphenoxy)-2H-indol-1-yl]methanone
InChI:
InChI=1S/C24H22ClNO2/c1-16-8-14-19(15-9-16)28-23-24(2,3)20-6-4-5-7-21(20)26(23)22(27)17-10-12-18(25)13-11-17/h4-15,23H,1-3H3
InChI Key:
WOSHEQAEFXWOSY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OC1N(C(=O)c2ccc(cc2)Cl)c2c(C1(C)C)cccc2
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.134g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.895g/mol
Monoisotopic Mass:
391.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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