6-Bromo-5-fluoroindoline

CAT: 0127-PC1005074-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1005074-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

186520-02-5

MDL Number

MFCD22037767

Purity

98%

Smiles

FC1=CC2=C(NCC2)C=C1Br

Chemical Information

6-Bromo-5-fluoroindoline

CAS Number	186520-02-5
PubChem CID	21948368
IUPAC Name	6-bromo-5-fluoro-2,3-dihydro-1H-indole
Molecular Formula	C8H7BrFN
Molecular Weight	216.05
XLogP	2.7
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	153

SMILES

C1CNC2=CC(=C(C=C21)F)Br

InChI

InChI=1S/C8H7BrFN/c9-6-4-8-5(1-2-11-8)3-7(6)10/h3-4,11H,1-2H2

InChIKey

SVNDSMLMPVHWET-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 186520-02-5

CID: 21948368

Formula: C8H7BrFN

MW: 216.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.05
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	214.97459
Monoisotopic Mass	214.97459
Topological Polar Surface Area	12 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
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PC1007009-01	7-Bromo-5-fluoroindoline
PC100998-01	5-Bromo-6-fluoroindoline-2,3-dione
PC111089-01	6-Chloro-5-fluoroindoline
PC100840-01	5-Bromo-6-chloro-7-fluoroindoline-2,3-dione
PC2339-01	5-Fluoroindoline
PC1004672-01	4-Bromo-7-fluoroindoline
PC908520-01	7-Bromo-5-fluoroindoline-2,3-dione