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1160261-38-0 | 7,8-Dimethyl-2-(2-thienyl)quinoline-4-carbonyl chloride
CAS No: 1160261-38-0 Catalog No: AG00HDJB MDL No:MFCD12198068
Product Description
Catalog Number:
AG00HDJB
Chemical Name:
7,8-Dimethyl-2-(2-thienyl)quinoline-4-carbonyl chloride
CAS Number:
1160261-38-0
Molecular Formula:
C16H12ClNOS
Molecular Weight:
301.7906
MDL Number:
MFCD12198068
IUPAC Name:
7,8-dimethyl-2-thiophen-2-ylquinoline-4-carbonyl chloride
InChI:
InChI=1S/C16H12ClNOS/c1-9-5-6-11-12(16(17)19)8-13(14-4-3-7-20-14)18-15(11)10(9)2/h3-8H,1-2H3
InChI Key:
WTYCCYNUMGROBM-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(nc2c1ccc(c2C)C)c1cccs1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.033g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.788g/mol
Monoisotopic Mass:
301.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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