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Home > Quinoline > 1160253-97-3
1160253-97-3 | 2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carbonyl chloride
CAS No: 1160253-97-3 Catalog No: AG00HDD6 MDL No:MFCD03421173
Product Description
Catalog Number:
AG00HDD6
Chemical Name:
2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carbonyl chloride
CAS Number:
1160253-97-3
Molecular Formula:
C21H20ClNO2
Molecular Weight:
353.8420
MDL Number:
MFCD03421173
IUPAC Name:
6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl chloride
InChI:
InChI=1S/C21H20ClNO2/c1-13(2)12-25-16-6-4-5-15(10-16)20-11-18(21(22)24)17-9-14(3)7-8-19(17)23-20/h4-11,13H,12H2,1-3H3
InChI Key:
PODDZNJAKPYAFE-UHFFFAOYSA-N
SMILES:
CC(COc1cccc(c1)c1nc2ccc(cc2c(c1)C(=O)Cl)C)C
Properties
Complexity:
455
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:
6
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