5-Bromoquinazoline

CAT: 0127-OR74421-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR74421-01Size:1 g

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

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CAS Number

958452-00-1

MDL Number

MFCD11036107

Purity

98%

Smiles

BrC1=CC=CC2=NC=NC=C12

Chemical Information

5-Bromoquinazoline

CAS Number	958452-00-1
PubChem CID	45158755
IUPAC Name	5-bromoquinazoline
Molecular Formula	C8H5BrN2
Molecular Weight	209.04
XLogP	2.2
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=CC2=NC=NC=C2C(=C1)Br

InChI

InChI=1S/C8H5BrN2/c9-7-2-1-3-8-6(7)4-10-5-11-8/h1-5H

InChIKey

IAQNFOPKXLQOLR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 958452-00-1

CID: 45158755

Formula: C8H5BrN2

MW: 209.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.04
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	207.96361
Monoisotopic Mass	207.96361
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
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OR906785	4-Bromoquinazoline
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OR54428-01	6-Bromoquinazoline
OR110183	2-Amino-7-bromoquinazoline
OR1043150	6-Bromoquinazoline-4-carboxylic acid
OR322728-01	7-Bromoquinazoline-2,4-diamine
OR89936-01	8-Bromoquinazoline-2,4-diol
OR12053-01	6-Bromoquinazoline-2,4 (1H,3H) -dione