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2,4-Dichlorotriazine

CAT: 0024-sc-470285Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-470285Size:250 mg
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CAS Number
2831-66-5

Chemical Information

2,4-Dichloro-1,3,5-triazine
CAS Number2831-66-5
PubChem CID17810
IUPAC Name2,4-dichloro-1,3,5-triazine
Molecular FormulaC3HCl2N3
Molecular Weight149.96
XLogP1.9
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity70
SMILES
C1=NC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C3HCl2N3/c4-2-6-1-7-3(5)8-2/h1H
InChIKey
OMRXVBREYFZQHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dichloro-1,3,5-triazine
CAS: 2831-66-5
CID: 17810
Formula: C3HCl2N3
MW: 149.96
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.96
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass148.9547524
Monoisotopic Mass148.9547524
Topological Polar Surface Area38.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity70.9
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

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