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1160254-67-0 | 2-(3-Butoxyphenyl)-8-methylquinoline-4-carbonyl chloride
CAS No: 1160254-67-0 Catalog No: AG00HDE5 MDL No:MFCD03421220
Product Description
Catalog Number:
AG00HDE5
Chemical Name:
2-(3-Butoxyphenyl)-8-methylquinoline-4-carbonyl chloride
CAS Number:
1160254-67-0
Molecular Formula:
C21H20ClNO2
Molecular Weight:
353.8420
MDL Number:
MFCD03421220
IUPAC Name:
2-(3-butoxyphenyl)-8-methylquinoline-4-carbonyl chloride
InChI:
InChI=1S/C21H20ClNO2/c1-3-4-11-25-16-9-6-8-15(12-16)19-13-18(21(22)24)17-10-5-7-14(2)20(17)23-19/h5-10,12-13H,3-4,11H2,1-2H3
InChI Key:
VFDZNTHZEPGKAQ-UHFFFAOYSA-N
SMILES:
CCCCOc1cccc(c1)c1cc(C(=O)Cl)c2c(n1)c(C)ccc2
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.118g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.846g/mol
Monoisotopic Mass:
353.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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