4-Fluoro-6-iodopyrimidine

CAT: 0127-PC1002730-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1002730-01Size:100 mg

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CAS Number

1806337-84-7

MDL Number

MFCD28796906

Purity

95%

Smiles

IC1=CC(F)=NC=N1

Chemical Information

4-Fluoro-6-iodopyrimidine

CAS Number	1806337-84-7
PubChem CID	130785717
IUPAC Name	4-fluoro-6-iodopyrimidine
Molecular Formula	C4H2FIN2
Molecular Weight	223.97
XLogP	1.3
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	80

SMILES

C1=C(N=CN=C1I)F

InChI

InChI=1S/C4H2FIN2/c5-3-1-4(6)8-2-7-3/h1-2H

InChIKey

SYYMMFDKOGLWKO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1806337-84-7

CID: 130785717

Formula: C4H2FIN2

MW: 223.97

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.97
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	223.92467
Monoisotopic Mass	223.92467
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	80.4
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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PC421150-01	2-Fluoro-5-iodopyrimidine
OR52066	6-Ethyl-5-iodopyrimidine-2,4-diamine
OR72993-01	2-Chloro-4-iodopyrimidine
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OR1074106-01	5-Bromo-4-iodopyrimidine