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Home > Quinoline > 1160253-57-5
1160253-57-5 | 2-(4-Butylphenyl)-6-methylquinoline-4-carbonyl chloride
CAS No: 1160253-57-5 Catalog No: AG00HDCN MDL No:MFCD03421148
Product Description
Catalog Number:
AG00HDCN
Chemical Name:
2-(4-Butylphenyl)-6-methylquinoline-4-carbonyl chloride
CAS Number:
1160253-57-5
Molecular Formula:
C21H20ClNO
Molecular Weight:
337.8426
MDL Number:
MFCD03421148
IUPAC Name:
2-(4-butylphenyl)-6-methylquinoline-4-carbonyl chloride
InChI:
InChI=1S/C21H20ClNO/c1-3-4-5-15-7-9-16(10-8-15)20-13-18(21(22)24)17-12-14(2)6-11-19(17)23-20/h6-13H,3-5H2,1-2H3
InChI Key:
IODCKJVBUQAPED-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)Cl)C
Properties
Complexity:
418
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:
5
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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