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3-Chloropyridazine

CAT: 0572-TRC-C596293-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C596293-100MGSize:100 mg
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CAS Number
1120-95-2
Hazard Statement
Causes skin irritation
Smiles
Clc1cccnn1
Molecular Formula
C4H3N2Cl
Molecular Weight
114.53
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Chloropyridazine
CAS Number1120-95-2
PubChem CID11274989
IUPAC Name3-chloropyridazine
Molecular FormulaC4H3ClN2
Molecular Weight114.53
XLogP0.1
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity57
SMILES
C1=CC(=NN=C1)Cl
InChI
InChI=1S/C4H3ClN2/c5-4-2-1-3-6-7-4/h1-3H
InChIKey
IBWYHNOFSKJKKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chloropyridazine
CAS: 1120-95-2
CID: 11274989
Formula: C4H3ClN2
MW: 114.53
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.53
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass113.9984758
Monoisotopic Mass113.9984758
Topological Polar Surface Area25.8 Ų
Heavy Atom Count7
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 Count1
Compound Is CanonicalizedYes

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