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1160254-29-4

1160254-29-4 | 2-(4-sec-Butylphenyl)-8-methylquinoline-4-carbonyl chloride

CAS No: 1160254-29-4 Catalog No: AG00HDDM MDL No:MFCD03421199

Product Description

Catalog Number:
AG00HDDM
Chemical Name:
2-(4-sec-Butylphenyl)-8-methylquinoline-4-carbonyl chloride
CAS Number:
1160254-29-4
Molecular Formula:
C21H20ClNO
Molecular Weight:
337.8426
MDL Number:
MFCD03421199
IUPAC Name:
2-(4-butan-2-ylphenyl)-8-methylquinoline-4-carbonyl chloride
InChI:
InChI=1S/C21H20ClNO/c1-4-13(2)15-8-10-16(11-9-15)19-12-18(21(22)24)17-7-5-6-14(3)20(17)23-19/h5-13H,4H2,1-3H3
InChI Key:
CUWSJBFEBCCYIT-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)ccc2)C

Properties

Complexity:
432  
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:
4  
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4  

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