3'-Chloro-2'-fluoroacetophenone - CAS 161957-59-1

Catalog:	BB011803
Product Name:	3'-Chloro-2'-fluoroacetophenone
CAS:	161957-59-1
Synonyms:	1-(3-chloro-2-fluorophenyl)ethanone; 1-(3-chloro-2-fluorophenyl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3-chloro-2-fluorophenyl)ethanone
Description:	3'-Chloro-2'-fluoroacetophenone (CAS# 161957-59-1) is a useful research chemical.
Molecular Weight:	172.58
Molecular Formula:	C8H6ClFO
Canonical SMILES:	CC(=O)C1=C(C(=CC=C1)Cl)F
InChI:	InChI=1S/C8H6ClFO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3
InChI Key:	ZHDLNEIXOUIAQO-UHFFFAOYSA-N
Boiling Point:	239.301 °C at 760 mmHg
Density:	1.259 g/cm³
MDL:	MFCD00106165
LogP:	2.68170

Publication Number	Title	Priority Date
WO-2021147974-A1	Novel heterocyclic compounds useful as aurora a selective inhibitors	20200122
CN-111019915-A	Application of carbonyl reductase mutant in synthesis of chiral ortho-halogenated- Î± -phenethyl alcohol	20191108
WO-2021068755-A1	Compound having brd4 inhibitory activity, preparation method therefor and use thereof	20191008
US-2021214333-A1	Substituted condensed thiophenes as modulators of sting	20180516
CA-2992926-A1	Peptide macrocycles against acinetobacter baumannii	20151027

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Complexity:	160
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:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3