3-Chloro-5-fluorophenetole

CAT: 0127-PC8161-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC8161-01Size:1 g

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CAS Number

289039-42-5

MDL Number

MFCD00672983

Purity

97%

Smiles

CCOc1cc(F)cc(Cl)c1

Chemical Information

3-Chloro-5-fluorophenetole

CAS Number	289039-42-5
PubChem CID	2773705
IUPAC Name	1-chloro-3-ethoxy-5-fluorobenzene
Molecular Formula	C8H8ClFO
Molecular Weight	174.60
XLogP	3
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	121

SMILES

CCOC1=CC(=CC(=C1)Cl)F

InChI

InChI=1S/C8H8ClFO/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5H,2H2,1H3

InChIKey

NOXJNCPLTONOCB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 289039-42-5

CID: 2773705

Formula: C8H8ClFO

MW: 174.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.60
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	174.0247707
Monoisotopic Mass	174.0247707
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	121
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

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