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2,4-Dichloro-5-methylpyrimidine

CAT: 0572-TRC-D435500-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D435500-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1780-31-0
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3261; Packing Group: II
Smiles
Cc1cnc(Cl)nc1Cl
Molecular Formula
C5 H4 Cl2 N2
Molecular Weight
163
InChI
InChI=1S/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3
Additionnal Information
IUPAC name: 2,4-dichloro-5-methylpyrimidine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pyrimidine, 2,4-dichloro-5-methyl-
CAS Number1780-31-0
PubChem CID74508
IUPAC Name2,4-dichloro-5-methylpyrimidine
Molecular FormulaC5H4Cl2N2
Molecular Weight163.00
XLogP2.5
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
CC1=CN=C(N=C1Cl)Cl
InChI
InChI=1S/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3
InChIKey
DQXNTSXKIUZJJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrimidine, 2,4-dichloro-5-methyl-
CAS: 1780-31-0
CID: 74508
Formula: C5H4Cl2N2
MW: 163.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.00
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass161.9751535
Monoisotopic Mass161.9751535
Topological Polar Surface Area25.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity99
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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