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Home > Quinoline > 1160260-95-6
1160260-95-6 | 2-(4-tert-Butylphenyl)-6-ethylquinoline-4-carbonyl chloride
CAS No: 1160260-95-6 Catalog No: AG00HDIS MDL No:MFCD12198043
Product Description
Catalog Number:
AG00HDIS
Chemical Name:
2-(4-tert-Butylphenyl)-6-ethylquinoline-4-carbonyl chloride
CAS Number:
1160260-95-6
Molecular Formula:
C22H22ClNO
Molecular Weight:
351.8692
MDL Number:
MFCD12198043
IUPAC Name:
2-(4-tert-butylphenyl)-6-ethylquinoline-4-carbonyl chloride
InChI:
InChI=1S/C22H22ClNO/c1-5-14-6-11-19-17(12-14)18(21(23)25)13-20(24-19)15-7-9-16(10-8-15)22(2,3)4/h6-13H,5H2,1-4H3
InChI Key:
IYEUNZWRDVNLKY-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)c(cc(n2)c1ccc(cc1)C(C)(C)C)C(=O)Cl
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.139g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.874g/mol
Monoisotopic Mass:
351.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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