1- (3-chlorophenyl) -2-fluoroethanone

CAT: 0127-PC1022266-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1022266-01Size:250 mg

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CAS Number

90221-70-8

MDL Number

MFCD28540365

Purity

95%

Smiles

C (=O) (CF) c1cc (Cl) ccc1

Chemical Information

1-(3-Chlorophenyl)-2-fluoroethan-1-one

CAS Number	90221-70-8
PubChem CID	23128073
IUPAC Name	1-(3-chlorophenyl)-2-fluoroethanone
Molecular Formula	C8H6ClFO
Molecular Weight	172.58
XLogP	2.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

C1=CC(=CC(=C1)Cl)C(=O)CF

InChI

InChI=1S/C8H6ClFO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4H,5H2

InChIKey

UOYVFARWFWDDRC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90221-70-8

CID: 23128073

Formula: C8H6ClFO

MW: 172.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.58
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	172.0091207
Monoisotopic Mass	172.0091207
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC907972-01	1- (4-Chlorophenyl) -2-fluoroethanone
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PC1014202-01	1- (2,3-dichlorophenyl) -2-fluoroethanone
PC1012347-01	1- (2,3-difluorophenyl) -2-fluoroethanone
PC1009466-01	1- (3,4-dichlorophenyl) -2-fluoroethanone
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PC1024519-01	1- (3,5-dichlorophenyl) -2-fluoroethanone
PC1014458-01	1- (3,4-dimethylphenyl) -2-fluoroethanone

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