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Phthalazine

CAT: 1299-RG-A261219-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261219-04Size:100 mg
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CAS Number
253-52-1
Synonyms
Phthalazine
Molecular Formula
C8H6N2
Molecular Weight
130.15
Product Name Synonym
Phthalazine

Chemical Information

Phthalazine

Phthalazine is an azaarene that is the 2,3-diaza analogue of naphthalene. The parent of the class of phthalazines. It is a mancude organic heterobicyclic parent, a member of phthalazines, an azaarene and an ortho-fused heteroarene.

CAS Number253-52-1
PubChem CID9207
IUPAC Namephthalazine
Molecular FormulaC8H6N2
Molecular Weight130.15
XLogP0.6
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity99
SMILES
C1=CC=C2C=NN=CC2=C1
InChI
InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
InChIKey
LFSXCDWNBUNEEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phthalazine
CAS: 253-52-1
CID: 9207
Formula: C8H6N2
MW: 130.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.15
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass130.053098200
Monoisotopic Mass130.053098200
Topological Polar Surface Area25.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.8
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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