2-Bromo-5-fluoroquinoline

CAT: 0127-PC1005222-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1005222-01Size:100 mg

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

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CAS Number

1420793-87-8

MDL Number

MFCD22688700

Purity

98%

Smiles

FC1=C2C=CC(Br)=NC2=CC=C1

Chemical Information

2-Bromo-5-fluoroquinoline

CAS Number	1420793-87-8
PubChem CID	97036484
IUPAC Name	2-bromo-5-fluoroquinoline
Molecular Formula	C9H5BrFN
Molecular Weight	226.04
XLogP	3.3
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	165

SMILES

C1=CC2=C(C=CC(=N2)Br)C(=C1)F

InChI

InChI=1S/C9H5BrFN/c10-9-5-4-6-7(11)2-1-3-8(6)12-9/h1-5H

InChIKey

KZVMLBOMTBTEFX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1420793-87-8

CID: 97036484

Formula: C9H5BrFN

MW: 226.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.04
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	224.95894
Monoisotopic Mass	224.95894
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165
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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PC1003563-01	5-Bromo-2-chloro-8-fluoroquinoline
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PC1001505-01	2-Bromo-7-fluoroquinoline

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GMD78000-01	5-Bromo-7-fluoroquinoline-8-carbonitrile
GMD77998-01	5-Bromo-7-fluoroquinoline-8-carbaldehyde
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EEC95457-01	6-Bromo-2-chloro-7-fluoroquinoline