2-Chloro-2'-fluoroacetophenone - CAS 53688-17-8

Name: 2-Chloro-2'-fluoroacetophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028323
Product Name:	2-Chloro-2'-fluoroacetophenone
CAS:	53688-17-8
Synonyms:	2-chloro-1-(2-fluorophenyl)ethanone; 2-chloro-1-(2-fluorophenyl)ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-1-(2-fluorophenyl)ethanone
Description:	2-Chloro-2'-fluoroacetophenone (CAS# 53688-17-8) is 2-fluoro substituted α-chloro acetophenone used as a synthetic intermediate for neurologically active pharmaceutical compounds.
Molecular Weight:	172.58
Molecular Formula:	C8H6ClFO
Canonical SMILES:	C1=CC=C(C(=C1)C(=O)CCl)F
InChI:	InChI=1S/C8H6ClFO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2
InChI Key:	XIRBMNOJVJCHTR-UHFFFAOYSA-N
LogP:	2.24720

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Related Functional Groups

Carbonyl Compounds

[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-10093640-B2	Substituted benzofuran, benzothiophene and indole MCL-1 inhibitors	20120921
US-2015336925-A1	Substituted benzofuran, benzothiophene and indole mcl-1 inhibitors	20120921
US-2018312485-A1	Substituted benzofuran, benzothiophene and indole mcl-1 inhibitors	20120921
WO-2014047427-A2	Substituted benzofuran, benzothiophene and indole mcl-1 inhibitors	20120921
US-10844032-B2	Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors	20120921

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0091207
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.0091207
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3