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4-CHLORO-QUINAZOLINE

CAT: 0931-TPL0331-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0331-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5190-68-1
Purity
0.9927
Bioactivity
4-CHLORO-QUINAZOLINE, with CAS No. 5190-68-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 4-CHLORO-QUINAZOLINE provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
ClC1=NC=NC2=C1C=CC=C2
Molecular Formula
C8H5ClN2
Molecular Weight
164.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Chloroquinazoline
CAS Number5190-68-1
PubChem CID78864
IUPAC Name4-chloroquinazoline
Molecular FormulaC8H5ClN2
Molecular Weight164.59
XLogP1.9
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity140
SMILES
C1=CC=C2C(=C1)C(=NC=N2)Cl
InChI
InChI=1S/C8H5ClN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H
InChIKey
GVRRXASZZAKBMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloroquinazoline
CAS: 5190-68-1
CID: 78864
Formula: C8H5ClN2
MW: 164.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.59
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass164.0141259
Monoisotopic Mass164.0141259
Topological Polar Surface Area25.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity140
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

CatalogName
GTR19254186-014-CHLORO-QUINAZOLINE
RAA49966-014-Chloro-8- (trifluoromethyl) quinazoline
DAA13763-014-Chloro-2- (trichloromethyl) quinazoline
OR82215-014-Chloro-2- (ethylthio) quinazoline
OR82068-014-Chloro-2- (methylthio) quinazoline
PRB31208-014-Chloro-2- (difluoromethyl) quinazoline
431784-014-Chloro-7- (trifluoromethyl) quinazoline
PC99820-014-Chloro-6- (trifluoromethyl) quinazoline
FGA96093-014-Chloro-6- (methylsulfanyl) quinazoline
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