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113737-83-0 | 2,4(1H,3H)-Quinolinedione, 7-chloro-3-hydroxy-3-phenyl-
CAS No: 113737-83-0 Catalog No: AG0009IS MDL No:
Product Description
Catalog Number:
AG0009IS
Chemical Name:
2,4(1H,3H)-Quinolinedione, 7-chloro-3-hydroxy-3-phenyl-
CAS Number:
113737-83-0
Molecular Formula:
C15H10ClNO3
Molecular Weight:
287.6978
IUPAC Name:
7-chloro-3-hydroxy-3-phenyl-1H-quinoline-2,4-dione
InChI:
InChI=1S/C15H10ClNO3/c16-10-6-7-11-12(8-10)17-14(19)15(20,13(11)18)9-4-2-1-3-5-9/h1-8,20H,(H,17,19)
InChI Key:
LBMOEKLVOHHWLQ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)NC(=O)C(C2=O)(O)c1ccccc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.035g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.699g/mol
Monoisotopic Mass:
287.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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