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1160254-05-6 | 2-(5-Ethyl-2-thienyl)-8-methylquinoline-4-carbonyl chloride
CAS No: 1160254-05-6 Catalog No: AG00HDDA MDL No:MFCD03421183
Product Description
Catalog Number:
AG00HDDA
Chemical Name:
2-(5-Ethyl-2-thienyl)-8-methylquinoline-4-carbonyl chloride
CAS Number:
1160254-05-6
Molecular Formula:
C17H14ClNOS
Molecular Weight:
315.8172
MDL Number:
MFCD03421183
IUPAC Name:
2-(5-ethylthiophen-2-yl)-8-methylquinoline-4-carbonyl chloride
InChI:
InChI=1S/C17H14ClNOS/c1-3-11-7-8-15(21-11)14-9-13(17(18)20)12-6-4-5-10(2)16(12)19-14/h4-9H,3H2,1-2H3
InChI Key:
CRVKYYSTIPMJNK-UHFFFAOYSA-N
SMILES:
CCc1ccc(s1)c1cc(C(=O)Cl)c2c(n1)c(C)ccc2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.815g/mol
Monoisotopic Mass:
315.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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