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Quinazoline

CAT: 0013-GTR19251466-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19251466-02Size:25 mg
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Description
Quinazoline
CAS Number
253-82-7
Purity
99.53% (May vary between batches)
Smiles
C1=CC=C2N=CN=CC2=C1
Molecular Formula
C8H6N2
Molecular Weight
130.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Quinazoline

Quinazoline is a mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms. It is a mancude organic heterobicyclic parent, a member of quinazolines, an azaarene and an ortho-fused heteroarene.

CAS Number253-82-7
PubChem CID9210
IUPAC Namequinazoline
Molecular FormulaC8H6N2
Molecular Weight130.15
XLogP1
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity114
SMILES
C1=CC=C2C(=C1)C=NC=N2
InChI
InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H
InChIKey
JWVCLYRUEFBMGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinazoline
CAS: 253-82-7
CID: 9210
Formula: C8H6N2
MW: 130.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.15
XLogP31
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
Complexity114
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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