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1-(4-Bromo-2-fluorophenyl)-3-chloro-1-propanone

1-(4-Bromo-2-fluorophenyl)-3-chloro-1-propanone - CAS 395639-63-1

Name: 1-(4-Bromo-2-fluorophenyl)-3-chloro-1-propanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024035
Product Name:	1-(4-Bromo-2-fluorophenyl)-3-chloro-1-propanone
CAS:	395639-63-1
Synonyms:	1-(4-bromo-2-fluorophenyl)-3-chloro-1-propanone; 1-(4-bromo-2-fluorophenyl)-3-chloropropan-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-bromo-2-fluorophenyl)-3-chloropropan-1-one
Description:	1-(4-Bromo-2-fluorophenyl)-3-chloro-1-propanone (CAS# 395639-63-1) is a useful research chemical.
Molecular Weight:	265.51
Molecular Formula:	C9H7BrClFO
Canonical SMILES:	C1=CC(=C(C=C1Br)F)C(=O)CCCl
InChI:	InChI=1S/C9H7BrClFO/c10-6-1-2-7(8(12)5-6)9(13)3-4-11/h1-2,5H,3-4H2
InChI Key:	WOTJEJVXXNFKHT-UHFFFAOYSA-N
LogP:	3.39980

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Related Functional Groups

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Publication Number	Title	Priority Date
WO-2021080997-A1	3-(4-(11h-dibenzo[b,e][1,4]azepin-6-yl)piperazin-1-yl)- and 3-(4-(dibenzo[b,f][1,4]oxazepin/thiazepin/diazepin-11-yl)piperazin-1-yl)-propano ic acid derivatives as h1 and 5-ht2a-receptor modulators for the treatment of sleep disorders	20191021
EP-3016943-B1	Heteroaryl pyridone and aza-pyridone amide compounds	20130703
JP-2016526551-A	Heteroarylpyridone and aza-pyridone amide compounds	20130703
JP-6165977-B2	Heteroarylpyridone and aza-pyridone amide compounds	20130703
US-2015011461-A1	Heteroaryl pyridone and aza-pyridone amide compounds	20130703

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.93528
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	263.93528
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9