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1160262-98-5 | 2-(3-Isobutoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CAS No: 1160262-98-5 Catalog No: AG00HDK8 MDL No:MFCD03421269
Product Description
Catalog Number:
AG00HDK8
Chemical Name:
2-(3-Isobutoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CAS Number:
1160262-98-5
Molecular Formula:
C22H22ClNO2
Molecular Weight:
367.8686
MDL Number:
MFCD03421269
IUPAC Name:
6,8-dimethyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl chloride
InChI:
InChI=1S/C22H22ClNO2/c1-13(2)12-26-17-7-5-6-16(10-17)20-11-19(22(23)25)18-9-14(3)8-15(4)21(18)24-20/h5-11,13H,12H2,1-4H3
InChI Key:
RDWIRHNYVXNHCW-UHFFFAOYSA-N
SMILES:
CC(COc1cccc(c1)c1cc(C(=O)Cl)c2c(n1)c(C)cc(c2)C)C
Properties
Complexity:
483
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:
5
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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