8-Nitroquinazolin-4-ol

CAT: 0127-OR92864-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR92864-01Size:250 mg

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

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CAS Number

53638-54-3

MDL Number

MFCD00834971

Purity

98%

Smiles

C1=CC2=C(C(=C1)[N+](=O)[O-])N=CN=C2O

Chemical Information

8-Nitroquinazolin-4-ol

CAS Number	53638-54-3
PubChem CID	135408799
IUPAC Name	8-nitro-3H-quinazolin-4-one
Molecular Formula	C8H5N3O3
Molecular Weight	191.14
XLogP	0.5
Topological Polar Surface Area	87.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	297

SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])N=CNC2=O

InChI

InChI=1S/C8H5N3O3/c12-8-5-2-1-3-6(11(13)14)7(5)9-4-10-8/h1-4H,(H,9,10,12)

InChIKey

FECQXFFMBXNHLB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53638-54-3

CID: 135408799

Formula: C8H5N3O3

MW: 191.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.14
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	191.03309103
Monoisotopic Mass	191.03309103
Topological Polar Surface Area	87.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	297
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-291407A	6-Nitroquinazolin-4-ol
ZDA76867-01	5-Nitroquinazolin-4-ol
CRB92981-01	7-Fluoro-8-nitroquinazolin-4 (3H) -one
429822-01	4-[ (4-Chloro-3-fluorophenyl) amino]-6-nitroquinazolin-7-ol
TRC-C367565-1G	4-[(4-Chloro-3-fluorophenyl)amino]-6-nitroquinazolin-7-ol
BA4399-10	8-Chloroquinazolin-4-ol
sc-262969	8-Methylquinolin-4-ol
GTR19155416-01	4-Chloroquinolin-8-ol
440133-01	8-fluoroquinolin-4-ol
sc-262968A	8-Methylquinazolin-4-ol