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8-Fluoroquinazolin-2-amine

CAT: 0127-PC430591Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC430591Size:1 Each
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CAS Number
190274-25-0
MDL Number
MFCD13193275
Purity
=95%
Smiles
Nc1ncc2cccc(F)c2n1

Chemical Information

8-Fluoroquinazolin-2-amine
CAS Number190274-25-0
PubChem CID10702149
IUPAC Name8-fluoroquinazolin-2-amine
Molecular FormulaC8H6FN3
Molecular Weight163.15
XLogP1.3
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity164
SMILES
C1=CC2=CN=C(N=C2C(=C1)F)N
InChI
InChI=1S/C8H6FN3/c9-6-3-1-2-5-4-11-8(10)12-7(5)6/h1-4H,(H2,10,11,12)
InChIKey
QGYGXLMLUIGXGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Fluoroquinazolin-2-amine
CAS: 190274-25-0
CID: 10702149
Formula: C8H6FN3
MW: 163.15
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.15
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass163.05457537
Monoisotopic Mass163.05457537
Topological Polar Surface Area51.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity164
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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