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Home > Quinoline > 1160262-72-5
1160262-72-5 | 2-(4-Isobutylphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CAS No: 1160262-72-5 Catalog No: AG00HDJM MDL No:MFCD03421245
Product Description
Catalog Number:
AG00HDJM
Chemical Name:
2-(4-Isobutylphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CAS Number:
1160262-72-5
Molecular Formula:
C22H22ClNO
Molecular Weight:
351.8692
MDL Number:
MFCD03421245
IUPAC Name:
6,8-dimethyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carbonyl chloride
InChI:
InChI=1S/C22H22ClNO/c1-13(2)9-16-5-7-17(8-6-16)20-12-19(22(23)25)18-11-14(3)10-15(4)21(18)24-20/h5-8,10-13H,9H2,1-4H3
InChI Key:
UNJYXRBOIDTGDC-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)cc(c2)C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.139g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.874g/mol
Monoisotopic Mass:
351.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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