7-Fluoro-6-nitro-4-hydroxyquinazoline

CAT: 1489-F8280-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:1489-F8280-01Size:1 g

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CAS Number

162012-69-3

Purity

0.98

Chemical Information

7-Fluoro-6-nitroquinazolin-4(1H)-one

CAS Number	162012-69-3
PubChem CID	135398507
IUPAC Name	7-fluoro-6-nitro-3H-quinazolin-4-one
Molecular Formula	C8H4FN3O3
Molecular Weight	209.13
XLogP	0.6
Topological Polar Surface Area	87.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	328

SMILES

C1=C2C(=CC(=C1[N+](=O)[O-])F)N=CNC2=O

InChI

InChI=1S/C8H4FN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13)

InChIKey

VTUAEMSZEIGQRM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 162012-69-3

CID: 135398507

Formula: C8H4FN3O3

MW: 209.13

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	209.13
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	209.02366916
Monoisotopic Mass	209.02366916
Topological Polar Surface Area	87.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	328
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

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Catalog	Name
sc-487020	7-Chloro-6-nitro-4-hydroxyquinazoline
sc-284637	5-Fluoro-4-hydroxyquinazoline
sc-337354	7-Fluoro-6-nitro-4-hydroxy-quinazoline
abx183814-01	7-Fluoro-6-Nitro Quinazolinone
OR471464-01	4-Chloro-7-hydroxyquinazoline
HKB97616-01	4-hydroxyquinazoline-7-carbonitrile
GTR19259076-01	6-Bromo-4-hydroxyquinazoline
PC102243-01	4-Fluoro-7-nitro-indoline
abx185317-01	6-Chloro-4-hydroxyquinazoline
sc-484756	6-Iodo-4-hydroxyquinazoline