4-Chloroquinazoline

CAT: 0127-OR912468-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR912468-01Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

5190-68-1

MDL Number

MFCD00228682

Purity

98%

Smiles

Clc1ncnc2ccccc12

Chemical Information

4-Chloroquinazoline

CAS Number	5190-68-1
PubChem CID	78864
IUPAC Name	4-chloroquinazoline
Molecular Formula	C8H5ClN2
Molecular Weight	164.59
XLogP	1.9
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	140

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

CAS: 5190-68-1

CID: 78864

Formula: C8H5ClN2

MW: 164.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.59
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	164.0141259
Monoisotopic Mass	164.0141259
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	140
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1054040	4-Bromo-6-chloroquinazoline
OR96169-01	4-Amino-2-chloroquinazoline
OR1011166-01	4- (Biphenyl-4-yl) -2-Chloroquinazoline
OR1102699-01	2-Chloroquinazoline-4-carboxylic acid
OR302160-01	Ethyl 2-chloroquinazoline-4-carboxylate
OR1026600-01	8-Chloroquinazoline
OR1064758-01	7-Chloroquinazoline
OR17301-01	2-Chloroquinazoline
OR1011419-01	4-Amino-8-Bromo-2-Chloroquinazoline
OR927915-01	5-Chloroquinazoline-2,4 (1H,3H) -dione

Catalog	Name
269491-01	4-Chloroquinazoline
261992-01	8-Bromo-4-chloroquinazoline
263817-01	6-Bromo-4-chloroquinazoline
AGA44997-01	4-Chloroquinazoline-6-carbonitrile
sc-263260	Ethyl 4-chloroquinazoline-2-carboxylate
FE44192-01	Ethyl 4-chloroquinazoline-6-carboxylate
YDA43645-01	6,8-Dibromo-4-chloroquinazoline
TAA67195-01	6-Chloroquinazoline-2,4-diamine
sc-268336	7- (3-Chloropropoxy) -4-chloroquinazoline
CGA53617-01	Methyl 4-chloroquinazoline-6-carboxylate