CAS 58375-08-9 | 1-(6-CHLORO-2-HYDROXY-4-PHENYL-QUINOLIN-3-YL)-ETHANONE | CAS Number 58375-08-9

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58375-08-9 | 1-(6-CHLORO-2-HYDROXY-4-PHENYL-QUINOLIN-3-YL)-ETHANONE

CAS No: 58375-08-9 Catalog No: AG00EEZJ MDL No:MFCD00116018

Product Description

Catalog Number:

AG00EEZJ

Chemical Name:

1-(6-CHLORO-2-HYDROXY-4-PHENYL-QUINOLIN-3-YL)-ETHANONE

CAS Number:

58375-08-9

Molecular Formula:

C17H12ClNO2

Molecular Weight:

297.7357

MDL Number:

MFCD00116018

IUPAC Name:

3-acetyl-6-chloro-4-phenyl-1H-quinolin-2-one

InChI:

InChI=1S/C17H12ClNO2/c1-10(20)15-16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-17(15)21/h2-9H,1H3,(H,19,21)

InChI Key:

AJBGMDVXSIBMLC-UHFFFAOYSA-N

SMILES:

Clc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)C(=O)C

Properties

Complexity:

479

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

297.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

297.738g/mol

Monoisotopic Mass:

297.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
1-{6-Chloro-2-[(2-chloro-8-methyl-3-quinol-yl)meth-oxy]-4-phenyl-quinolin-3-yl}ethanone.	Acta crystallographica. Section E, Structure reports online 20100801
1-{6-Chloro-2-[(2-chloro-3-quinol-yl)meth-oxy]-4-phenyl-3-quinol-yl}ethan-1-one.	Acta crystallographica. Section E, Structure reports online 20100701
1-{6-Chloro-2-[(2-chloro-6-methyl-quinolin-3-yl)meth-oxy]-4-phenyl-quinolin-3-yl}ethanone.	Acta crystallographica. Section E, Structure reports online 20100701
3-Acetyl-6-chloro-4-phenyl-quinolin-2(1H)-one.	Acta crystallographica. Section E, Structure reports online 20100101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501