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1160254-83-0 | 2-(5-Ethyl-2-thienyl)-6,8-dimethylquinoline-4-carbonyl chloride
CAS No: 1160254-83-0 Catalog No: AG00HDED MDL No:MFCD03421231
Product Description
Catalog Number:
AG00HDED
Chemical Name:
2-(5-Ethyl-2-thienyl)-6,8-dimethylquinoline-4-carbonyl chloride
CAS Number:
1160254-83-0
Molecular Formula:
C18H16ClNOS
Molecular Weight:
329.8437
MDL Number:
MFCD03421231
IUPAC Name:
2-(5-ethylthiophen-2-yl)-6,8-dimethylquinoline-4-carbonyl chloride
InChI:
InChI=1S/C18H16ClNOS/c1-4-12-5-6-16(22-12)15-9-14(18(19)21)13-8-10(2)7-11(3)17(13)20-15/h5-9H,4H2,1-3H3
InChI Key:
CQLHJNJNQCBXTF-UHFFFAOYSA-N
SMILES:
CCc1ccc(s1)c1cc(C(=O)Cl)c2c(n1)c(C)cc(c2)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:
329.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.842g/mol
Monoisotopic Mass:
329.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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