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2,6-Dibromoquinazoline

CAT: 0127-OR1044749-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1044749-01Size:100 mg
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CAS Number
161425-75-8
MDL Number
MFCD04114090
Purity
95%
Smiles
BrC2=NC1=CC=C(C=C1C=N2)Br

Chemical Information

2,6-Dibromoquinazoline
CAS Number161425-75-8
PubChem CID45789972
IUPAC Name2,6-dibromoquinazoline
Molecular FormulaC8H4Br2N2
Molecular Weight287.94
XLogP3.3
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity165
SMILES
C1=CC2=NC(=NC=C2C=C1Br)Br
InChI
InChI=1S/C8H4Br2N2/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H
InChIKey
NAARTNANGRCYIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dibromoquinazoline
CAS: 161425-75-8
CID: 45789972
Formula: C8H4Br2N2
MW: 287.94
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.94
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass287.87207
Monoisotopic Mass285.87412
Topological Polar Surface Area25.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity165
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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