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2,4,5-Trichloropyrimidine

CAT: 0024-sc-256326Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-256326Size:1 g
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CAS Number
5750-76-5

Chemical Information

2,4,5-Trichloropyrimidine
CAS Number5750-76-5
PubChem CID237259
IUPAC Name2,4,5-trichloropyrimidine
Molecular FormulaC4HCl3N2
Molecular Weight183.42
XLogP2.8
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
C1=C(C(=NC(=N1)Cl)Cl)Cl
InChI
InChI=1S/C4HCl3N2/c5-2-1-8-4(7)9-3(2)6/h1H
InChIKey
GIKMWFAAEIACRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,5-Trichloropyrimidine
CAS: 5750-76-5
CID: 237259
Formula: C4HCl3N2
MW: 183.42
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight183.42
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass181.920531
Monoisotopic Mass181.920531
Topological Polar Surface Area25.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity99.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes