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Home > Quinoline > 1160261-06-2
1160261-06-2 | 6-Ethyl-2-(4-isopropoxyphenyl)quinoline-4-carbonyl chloride
CAS No: 1160261-06-2 Catalog No: AG00HDIX MDL No:MFCD12198051
Product Description
Catalog Number:
AG00HDIX
Chemical Name:
6-Ethyl-2-(4-isopropoxyphenyl)quinoline-4-carbonyl chloride
CAS Number:
1160261-06-2
Molecular Formula:
C21H20ClNO2
Molecular Weight:
353.8420
MDL Number:
MFCD12198051
IUPAC Name:
6-ethyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride
InChI:
InChI=1S/C21H20ClNO2/c1-4-14-5-10-19-17(11-14)18(21(22)24)12-20(23-19)15-6-8-16(9-7-15)25-13(2)3/h5-13H,4H2,1-3H3
InChI Key:
ONTGCJNEYKYCOV-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)c(cc(n2)c1ccc(cc1)OC(C)C)C(=O)Cl
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.118g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.846g/mol
Monoisotopic Mass:
353.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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