5-Chloro-6-fluoroindole

CAT: 0926-FC52235-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-FC52235-01Size:250 mg

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CAS Number

169674-57-1

MDL Number

MFCD01074495

Smiles

C1=CNC2=CC (=C (C=C21) Cl) F

Molecular Formula

C8H5ClFN

Molecular Weight

169.58 g/mol

Controlled

Chemical Information

5-chloro-6-fluoro-1H-indole

CAS Number	169674-57-1
PubChem CID	2773647
IUPAC Name	5-chloro-6-fluoro-1H-indole
Molecular Formula	C8H5ClFN
Molecular Weight	169.58
XLogP	2.8
Topological Polar Surface Area	15.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	153

SMILES

C1=CNC2=CC(=C(C=C21)Cl)F

InChI

InChI=1S/C8H5ClFN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H

InChIKey

JXFLPDYKOWHEJF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 169674-57-1

CID: 2773647

Formula: C8H5ClFN

MW: 169.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.58
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	169.0094550
Monoisotopic Mass	169.0094550
Topological Polar Surface Area	15.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	153
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
FC10535-01	6-Chloro-5-fluoroindole
FF00132-01	6-Fluoroindole
F-4520-01	5-Fluoroindole
FF30379-01	6-Fluoroindole-3-carboxaldehyde
F-5100-01	5-Fluoroindole-3-carboxaldehyde
FF30377-01	6-Fluoroindole-3-acetic acid
FE56782-01	Ethyl 5-fluoroindole-2-carboxylate
FF30376-01	5-Fluoroindole-3-acetic acid
FF10357-01	5-Fluoroindole-2-carboxylic acid
FF30375-01	4-Fluoroindole