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Home > Quinoline > 1160262-96-3
1160262-96-3 | 2-(3-Isopropoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CAS No: 1160262-96-3 Catalog No: AG00HDK6 MDL No:MFCD03421267
Product Description
Catalog Number:
AG00HDK6
Chemical Name:
2-(3-Isopropoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CAS Number:
1160262-96-3
Molecular Formula:
C21H20ClNO2
Molecular Weight:
353.8420
MDL Number:
MFCD03421267
IUPAC Name:
6,8-dimethyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride
InChI:
InChI=1S/C21H20ClNO2/c1-12(2)25-16-7-5-6-15(10-16)19-11-18(21(22)24)17-9-13(3)8-14(4)20(17)23-19/h5-12H,1-4H3
InChI Key:
YVMPITDCFPOPMF-UHFFFAOYSA-N
SMILES:
CC(Oc1cccc(c1)c1cc(C(=O)Cl)c2c(n1)c(C)cc(c2)C)C
Properties
Complexity:
469
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:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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