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4-Chloropyrimidine HCl

CAT: 0024-sc-277316Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-277316Size:1 g
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CAS Number
179051-78-6

Chemical Information

4-Chloropyrimidine hydrochloride
CAS Number179051-78-6
PubChem CID21922556
IUPAC Name4-chloropyrimidine;hydrochloride
Molecular FormulaC4H4Cl2N2
Molecular Weight150.99
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity57
SMILES
C1=CN=CN=C1Cl.Cl
InChI
InChI=1S/C4H3ClN2.ClH/c5-4-1-2-6-3-7-4;/h1-3H;1H
InChIKey
HBZJVDNETONGIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloropyrimidine hydrochloride
CAS: 179051-78-6
CID: 21922556
Formula: C4H4Cl2N2
MW: 150.99
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.99
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass149.9751535
Monoisotopic Mass149.9751535
Topological Polar Surface Area25.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity57.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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