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1160254-27-2 | 2-(4-tert-Butylphenyl)-8-methylquinoline-4-carbonyl chloride
CAS No: 1160254-27-2 Catalog No: AG00HDDL MDL No:MFCD03421198
Product Description
Catalog Number:
AG00HDDL
Chemical Name:
2-(4-tert-Butylphenyl)-8-methylquinoline-4-carbonyl chloride
CAS Number:
1160254-27-2
Molecular Formula:
C21H20ClNO
Molecular Weight:
337.8426
MDL Number:
MFCD03421198
IUPAC Name:
2-(4-tert-butylphenyl)-8-methylquinoline-4-carbonyl chloride
InChI:
InChI=1S/C21H20ClNO/c1-13-6-5-7-16-17(20(22)24)12-18(23-19(13)16)14-8-10-15(11-9-14)21(2,3)4/h5-12H,1-4H3
InChI Key:
GQCOXVBNAKNNRW-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(nc2c1cccc2C)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
449
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:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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