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159585-71-4 | 5,8-Quinolinedione, 7-chloro-6-[(3,4-difluorophenyl)amino]-
CAS No: 159585-71-4 Catalog No: AG001R6G MDL No:
Product Description
Catalog Number:
AG001R6G
Chemical Name:
5,8-Quinolinedione, 7-chloro-6-[(3,4-difluorophenyl)amino]-
CAS Number:
159585-71-4
Molecular Formula:
C15H7ClF2N2O2
Molecular Weight:
320.6781
IUPAC Name:
7-chloro-6-(3,4-difluoroanilino)quinoline-5,8-dione
InChI:
InChI=1S/C15H7ClF2N2O2/c16-11-13(20-7-3-4-9(17)10(18)6-7)14(21)8-2-1-5-19-12(8)15(11)22/h1-6,20H
InChI Key:
DPILJFWTJPVVEE-UHFFFAOYSA-N
SMILES:
ClC1=C(Nc2ccc(c(c2)F)F)C(=O)c2c(C1=O)nccc2
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.016g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.68g/mol
Monoisotopic Mass:
320.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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