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88322-64-9 | 2-Butanone, 4-(2-chloro-4-methyl-3-quinolinyl)-
CAS No: 88322-64-9 Catalog No: AG0047LZ MDL No:
Product Description
Catalog Number:
AG0047LZ
Chemical Name:
2-Butanone, 4-(2-chloro-4-methyl-3-quinolinyl)-
CAS Number:
88322-64-9
Molecular Formula:
C14H14ClNO
Molecular Weight:
247.7201
IUPAC Name:
4-(2-chloro-4-methylquinolin-3-yl)butan-2-one
InChI:
InChI=1S/C14H14ClNO/c1-9(17)7-8-12-10(2)11-5-3-4-6-13(11)16-14(12)15/h3-6H,7-8H2,1-2H3
InChI Key:
SNPGIQILUNPOSG-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1c(Cl)nc2c(c1C)cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.722g/mol
Monoisotopic Mass:
247.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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