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Desphenyl Chloridazon-15N2

CAT: 0572-TRC-D297002-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D297002-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189649-21-5
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Smiles
NC1=C(Cl)C(=O)[15NH][15N]=C1
Molecular Formula
C4 H4 Cl 15N2 N O
Molecular Weight
147.53
InChI
InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)/i7+1,8+1
Additionnal Information
IUPAC name: 4-amino-5-chloro-(1,2-^{15}N_{2})1H-pyridazin-6-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Desphenyl Chloridazon-15N2
CAS Number1189649-21-5
PubChem CID46781209
IUPAC Name4-amino-5-chloro-(1,2-15N2)1H-pyridazin-6-one
Molecular FormulaC4H4ClN3O
Molecular Weight147.53
XLogP-0.3
Topological Polar Surface Area67.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity208
SMILES
C1=[15N][15NH]C(=O)C(=C1N)Cl
InChI
InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)/i7+1,8+1
InChIKey
FEWPCPCEGBPTAL-BFGUONQLSA-N
Chemical Structure
2D Structure
2D structure of Desphenyl Chloridazon-15N2
CAS: 1189649-21-5
CID: 46781209
Formula: C4H4ClN3O
MW: 147.53
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.53
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass146.9983592
Monoisotopic Mass146.9983592
Topological Polar Surface Area67.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity208
Isotope Atom Count2
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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008754Desphenyl Chloridazon-15N2
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OR1042365Chloridazon
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