2-Amino-5-bromo-2'-fluorobenzophenone - CAS 1479-58-9

Catalog:	BB010250
Product Name:	2-Amino-5-bromo-2'-fluorobenzophenone
CAS:	1479-58-9
Synonyms:	(2-amino-5-bromophenyl)-(2-fluorophenyl)methanone; (2-amino-5-bromophenyl)-(2-fluorophenyl)methanone

Technical Data

Patents

Computed Properties

IUPAC Name:	(2-amino-5-bromophenyl)-(2-fluorophenyl)methanone
Description:	Intermeidate in the preparation of many GABA modulators.
Molecular Weight:	294.12
Molecular Formula:	C13H9BrFNO
Canonical SMILES:	C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Br)N)F
InChI:	InChI=1S/C13H9BrFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2
InChI Key:	XCOKDXNGCQXFCV-UHFFFAOYSA-N
Boiling Point:	450.9 °C at 760 mmHg
Density:	1.546 g/cm³
LogP:	3.98260

Publication Number	Title	Priority Date
WO-2018035246-A1	Gaba(a) receptor modulators and methods to control airway hyperresponsiveness and inflammation in asthma	20160816
WO-2017161370-A1	Treatment of cognitive and mood symptoms in neurodegenerative and neuropsychiatric disorders with alpha5-containing gabaa receptor agonists	20160318
EP-3160969-A2	Peripherally restricted gaba positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system	20140626
JP-2017522371-A	Peripheral focal GABA positive allosteric modulator for the treatment of irritable bowel syndrome and other diseases of the peripheral nervous system	20140626
US-10266534-B2	Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system	20140626

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Related Functional Groups

Amines and Anilines

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[1106917-71-8]
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1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
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2-(1-Benzyl-3-pyrazolyl)ethylamine
[42150-24-3]
2-(4-Pyrazolyl)ethylamine
[6397-33-7]
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Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	292.98515
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	292.98515
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9