Quinazoline-8-carbaldehyde

CAT: 0127-OR1002456-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1002456-01Size:100 mg

Selected

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

Quick Request Actions

CAS Number

1823899-37-1

Purity

98%

Smiles

O=CC1=CC=CC=2C=NC=NC12

Chemical Information

Quinazoline-8-carbaldehyde

CAS Number	1823899-37-1
PubChem CID	72207109
IUPAC Name	quinazoline-8-carbaldehyde
Molecular Formula	C9H6N2O
Molecular Weight	158.16
XLogP	1
Topological Polar Surface Area	42.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

C1=CC2=CN=CN=C2C(=C1)C=O

InChI

InChI=1S/C9H6N2O/c12-5-8-3-1-2-7-4-10-6-11-9(7)8/h1-6H

InChIKey

FXROZDCKLWDZRK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1823899-37-1

CID: 72207109

Formula: C9H6N2O

MW: 158.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.16
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	158.048012819
Monoisotopic Mass	158.048012819
Topological Polar Surface Area	42.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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
OR1001368	Quinazoline-7-carbaldehyde
OR1069036-01	Quinazoline-5-carbaldehyde
OR85906-01	Quinazoline-8-carboxylic acid
PC1005548-01	8- (Trifluoromethyl) quinoline-5-carbaldehyde
OR84026-01	Chromane-8-carbaldehyde
OR1051273-01	8- (Piperazin-1-yl) quinazoline
OR1010209	2,8-Dichloro-Quinoline-3-Carbaldehyde
OR1056099-01	3-Methylisoquinoline-8-carbaldehyde
PC1005898-01	5-Fluoroisoquinoline-8-carbaldehyde
PC1002489-01	8-Fluoroquinoline-4-carbaldehyde

Catalog	Name
AR-Q03870-01	Quinazoline Impurity 8
RAA49966-01	4-Chloro-8- (trifluoromethyl) quinazoline
288494-01	Quinoline-8-carbaldehyde
452736-01	Isoquinoline-8-carbaldehyde
FF80819-01	8-Fluoro-Quinazoline-2,4-Diamine
HY-W488313R	6-Chloro-4- (2-chlorophenyl) quinazoline-2-carbaldehyde (Standard)
463365-01	Quinazoline
YXC90519-01	7-Bromoquinoline-8-carbaldehyde
XCA80491-01	8-Ethylquinoline-2-carbaldehyde
SHC69119-01	5-Methylquinoline-8-carbaldehyde