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4,7-Dichloroquinazoline

CAT: 0127-OR951087-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR951087-01Size:1 g
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CAS Number
2148-57-4
MDL Number
MFCD00023911
Purity
99%
Smiles
Clc1ccc2c(Cl)ncnc2c1

Chemical Information

4,7-Dichloroquinazoline
CAS Number2148-57-4
PubChem CID241881
IUPAC Name4,7-dichloroquinazoline
Molecular FormulaC8H4Cl2N2
Molecular Weight199.03
XLogP3.1
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=C(C=C1Cl)N=CN=C2Cl
InChI
InChI=1S/C8H4Cl2N2/c9-5-1-2-6-7(3-5)11-4-12-8(6)10/h1-4H
InChIKey
FDPHWQSGEWRZOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,7-Dichloroquinazoline
CAS: 2148-57-4
CID: 241881
Formula: C8H4Cl2N2
MW: 199.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.03
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass197.9751535
Monoisotopic Mass197.9751535
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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Alternative Products

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sc-2777704,7-dichloroquinazoline
439461-017-Bromo-2,4-dichloroquinazoline
TRC-D438248-100MG2,4-Dichloroquinazoline-5,7-diol
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264360-018-Bromo-2,4-dichloroQuinazoline
438036-016-Bromo-2,4-dichloroquinazoline
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