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2,4,6-Trichloropyrimidine

CAT: 0572-TRC-T774180-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T774180-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3764-01-0
Synonyms
2,4,6-Trichloro-pyrimidine; NSC 6494;
Hazard Statement
No Data Available
Smiles
Clc1cc(Cl)nc(Cl)n1
Molecular Formula
C4HCl3N2
Molecular Weight
183.42
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,4,6-Trichloropyrimidine
CAS Number3764-01-0
PubChem CID77378
IUPAC Name2,4,6-trichloropyrimidine
Molecular FormulaC4HCl3N2
Molecular Weight183.42
XLogP3.1
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity89
SMILES
C1=C(N=C(N=C1Cl)Cl)Cl
InChI
InChI=1S/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1H
InChIKey
DPVIABCMTHHTGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,6-Trichloropyrimidine
CAS: 3764-01-0
CID: 77378
Formula: C4HCl3N2
MW: 183.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.42
XLogP33.1
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
Complexity89.8
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

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