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Home > Quinoline > 1160253-59-7
1160253-59-7 | 2-(4-isobutylphenyl)-6-methylquinoline-4-carbonyl chloride
CAS No: 1160253-59-7 Catalog No: AG00JCIB MDL No:MFCD03421149
Product Description
Catalog Number:
AG00JCIB
Chemical Name:
2-(4-isobutylphenyl)-6-methylquinoline-4-carbonyl chloride
CAS Number:
1160253-59-7
Molecular Formula:
C21H20ClNO
Molecular Weight:
337.8426
MDL Number:
MFCD03421149
IUPAC Name:
6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carbonyl chloride
InChI:
InChI=1S/C21H20ClNO/c1-13(2)10-15-5-7-16(8-6-15)20-12-18(21(22)24)17-11-14(3)4-9-19(17)23-20/h4-9,11-13H,10H2,1-3H3
InChI Key:
WYBBKQFATNEKEQ-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)Cl)C)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.123g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.847g/mol
Monoisotopic Mass:
337.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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