Gefitinib Impurity 8

CAT: 1299-RM-G062008-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G062008-01Size:10 mg

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CAS Number

379228-50-9

Synonyms

5-hydroxy-7-methoxyquinazolin-4 (3H) -one

Molecular Formula

C9H8N2O3

Molecular Weight

192.17

Target Alternative Name

Gefitinib

Product Name Synonym

5-hydroxy-7-methoxyquinazolin-4 (3H) -one

Chemical Information

5-hydroxy-7-methoxyquinazolin-4(3H)-one

CAS Number	379228-50-9
PubChem CID	135510695
IUPAC Name	5-hydroxy-7-methoxy-3H-quinazolin-4-one
Molecular Formula	C9H8N2O3
Molecular Weight	192.17
XLogP	0.9
Topological Polar Surface Area	70.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	267

SMILES

COC1=CC2=C(C(=C1)O)C(=O)NC=N2

InChI

InChI=1S/C9H8N2O3/c1-14-5-2-6-8(7(12)3-5)9(13)11-4-10-6/h2-4,12H,1H3,(H,10,11,13)

InChIKey

JNZHMPZNHHJDSS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 379228-50-9

CID: 135510695

Formula: C9H8N2O3

MW: 192.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.17
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	192.05349212
Monoisotopic Mass	192.05349212
Topological Polar Surface Area	70.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	267
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