Quinazoline-7-carbaldehyde

CAT: 0127-OR1001368Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR1001368Size:1 Each

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CAS Number

1459748-94-7

Purity

98%

Smiles

O=CC1=CC2=NC=NC=C2C=C1

Chemical Information

Quinazoline-7-carbaldehyde

CAS Number	1459748-94-7
PubChem CID	87323445
IUPAC Name	quinazoline-7-carbaldehyde
Molecular Formula	C9H6N2O
Molecular Weight	158.16
XLogP	0.6
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=C1C=O

InChI

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

InChIKey

IBFMAOQVOYKOGE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1459748-94-7

CID: 87323445

Formula: C9H6N2O

MW: 158.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.16
XLogP3	0.6
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
OR1002456-01	Quinazoline-8-carbaldehyde
OR1069036-01	Quinazoline-5-carbaldehyde
OR924120-01	Quinoline-7-carbaldehyde
OR85158-01	Methyl quinazoline-7-carboxylate
OR87761-01	Quinazoline-7-carboxylic acid
OR300271-01	Chroman-7-carbaldehyde
OR78067-01	Indoline-7-carbaldehyde
OR471374	7-Bromo-2- (chloromethyl) quinazoline
PC100220-01	4-Chloro-7- (trifluoromethyl) quinazoline
PC1007423-01	4-Chloro-7- (trifluoromethoxy) quinazoline

Catalog	Name
sc-357999A	7-Bromo-quinazoline
DXC57135-01	7- (Benzyloxy) quinazoline
AR-Q03869-01	Quinazoline Impurity 7
TRC-Q670105-100MG	Quinazoline-7-carboxylic Acid
431784-01	4-Chloro-7- (trifluoromethyl) quinazoline
AK ML 0561-01	Quinoline-7-carbaldehyde
HY-W488313R	6-Chloro-4- (2-chlorophenyl) quinazoline-2-carbaldehyde (Standard)
463365-01	Quinazoline
RMB23702-01	4- (Dimethylamino) quinazoline-7-carboxylic acid
sc-265620	2-Chloro-6,7-dimethoxy-quinazoline