5-Fluoro-4-hydroxyquinazoline

CAT: 0024-sc-284637ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-284637ASize:5 g

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CAS Number

436-72-6

Chemical Information

5-Fluoroquinazolin-4-ol

CAS Number	436-72-6
PubChem CID	135495930
IUPAC Name	5-fluoro-3H-quinazolin-4-one
Molecular Formula	C8H5FN2O
Molecular Weight	164.14
XLogP	0.8
Topological Polar Surface Area	41.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	229

SMILES

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

InChI

InChI=1S/C8H5FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12)

InChIKey

UXEZULVIMJVIFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 436-72-6

CID: 135495930

Formula: C8H5FN2O

MW: 164.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.14
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	164.03859095
Monoisotopic Mass	164.03859095
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	229
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
sc-484756	6-Iodo-4-hydroxyquinazoline
sc-263639	Methyl 4-hydroxyquinazoline-7-carboxylate
sc-263639A	Methyl 4-hydroxyquinazoline-7-carboxylate
sc-335569A	2,6-Diamino-4-hydroxyquinazoline
sc-335569	2,6-Diamino-4-hydroxyquinazoline
sc-490775	5-Fluoro-4-hydroxyquinoline PB-22
sc-487020	7-Chloro-6-nitro-4-hydroxyquinazoline
sc-233706	8-Fluoro-4-hydroxyquinoline
sc-301145	Methyl 8-bromo-5-fluoro-4-hydroxyquinoline-2-carboxylate
sc-301145A	Methyl 8-bromo-5-fluoro-4-hydroxyquinoline-2-carboxylate

Catalog	Name
GTR19251032-01	5-Fluoro-4-hydroxyquinazoline
KAC65866-01	4-Hydroxyquinazoline-5-carbonitrile
F8280-01	7-Fluoro-6-nitro-4-hydroxyquinazoline
FH32364-01	4-Hydroxyquinazoline
371107	4-Hydroxyquinazoline discontinued
H17840	4-Hydroxyquinazoline 95%
OR471464-01	4-Chloro-7-hydroxyquinazoline
GTR19259076-01	6-Bromo-4-hydroxyquinazoline
HKB97616-01	4-hydroxyquinazoline-7-carbonitrile
OR4920	2- (Chloromethyl) -4-hydroxyquinazoline