4-Bromo-7-fluoroindole

CAT: 0024-sc-316027Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-316027Size:500 mg

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CAS Number

883500-66-1

Chemical Information

4-Bromo-7-fluoroindole

CAS Number	883500-66-1
PubChem CID	3822541
IUPAC Name	4-bromo-7-fluoro-1H-indole
Molecular Formula	C8H5BrFN
Molecular Weight	214.03
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=CC(=C2C=CNC2=C1F)Br

InChI

InChI=1S/C8H5BrFN/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,11H

InChIKey

PBQKMEMSAFAVKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 883500-66-1

CID: 3822541

Formula: C8H5BrFN

MW: 214.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.03
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	212.95894
Monoisotopic Mass	212.95894
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

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