5-Fluoropyrimidine HCl

CAT: 0926-FF11502Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-FF11502Size:0.5 g

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CAS Number

675-21-8

MDL Number

MFCD06658278

Smiles

C1=C (C=NC=N1) F

Molecular Formula

C4H3FN2

Molecular Weight

98.08 g/mol

Controlled

Chemical Information

5-Fluoropyrimidine

CAS Number	675-21-8
PubChem CID	69605
IUPAC Name	5-fluoropyrimidine
Molecular Formula	C4H3FN2
Molecular Weight	98.08
XLogP	0
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	51

SMILES

C1=C(C=NC=N1)F

InChI

InChI=1S/C4H3FN2/c5-4-1-6-3-7-2-4/h1-3H

InChIKey

KSPDSMOWMQFPBL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 675-21-8

CID: 69605

Formula: C4H3FN2

MW: 98.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	98.08
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	98.02802627
Monoisotopic Mass	98.02802627
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	51.7
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
NC57386-01	4-Chloro-5-fluoropyrimidine
CZB57472-01	5-Fluoropyrimidine-2-methanol
FA78239-01	5-Amino-2-fluoropyrimidine
FE77839	4-Ethyl-5-fluoropyrimidine
EYB33335-01	2-Ethynyl-5-fluoropyrimidine
EEC26647-01	5-Fluoropyrimidine-4-carbaldehyde
MCA80237-01	5-Chloro-2-fluoropyrimidine
KMB66750-01	5-Fluoropyrimidine-2-carbaldehyde
FD11921-01	4,6-Dichloro-5-fluoropyrimidine
LYB52824-01	5-fluoropyrimidine-4-carboxylic acid

Catalog	Name
PC1549-01	5-Fluoropyrimidine
276089-01	5-Fluoropyrimidine HCl
432198-01	4-Ethyl-5-fluoropyrimidine
415277-01	2-Amino-5-fluoropyrimidine
267521-01	2-Chloro-5-fluoropyrimidine
PC107757	5-Fluoropyrimidine-2-carbaldehyde
PC49168-01	2-Bromo-5-fluoropyrimidine
PC1007403-01	2-Ethynyl-5-fluoropyrimidine
PC4448-01	4-Chloro-5-fluoropyrimidine
JH917525	5-5-Fluoropyrimidine-4-carbaldehyde