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1160262-93-0 | 2-(4-Butoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CAS No: 1160262-93-0 Catalog No: AG00HDK3 MDL No:MFCD03421264
Product Description
Catalog Number:
AG00HDK3
Chemical Name:
2-(4-Butoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CAS Number:
1160262-93-0
Molecular Formula:
C22H22ClNO2
Molecular Weight:
367.8686
MDL Number:
MFCD03421264
IUPAC Name:
2-(4-butoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
InChI:
InChI=1S/C22H22ClNO2/c1-4-5-10-26-17-8-6-16(7-9-17)20-13-19(22(23)25)18-12-14(2)11-15(3)21(18)24-20/h6-9,11-13H,4-5,10H2,1-3H3
InChI Key:
BHIWYYAJYZRKJJ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)cc(c2)C
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.134g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.873g/mol
Monoisotopic Mass:
367.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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