6-Nitro-2,1-benzisoxazole

CAT: 0127-OR1021896Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

15264-44-5

Purity

=95%

Smiles

[O-][N+](=O)c1ccc2conc2c1

Chemical Information

6-Nitro-2,1-benzoxazole

CAS Number	15264-44-5
PubChem CID	264285
IUPAC Name	6-nitro-2,1-benzoxazole
Molecular Formula	C7H4N2O3
Molecular Weight	164.12
XLogP	1.3
Topological Polar Surface Area	71.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	192

SMILES

C1=CC2=CON=C2C=C1[N+](=O)[O-]

InChI

InChI=1S/C7H4N2O3/c10-9(11)6-2-1-5-4-12-8-7(5)3-6/h1-4H

InChIKey

VXUKBYHFZXHKFY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15264-44-5

CID: 264285

Formula: C7H4N2O3

MW: 164.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.12
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	164.02219199
Monoisotopic Mass	164.02219199
Topological Polar Surface Area	71.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	192
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
OR40444-01	6-Hydroxy-3-methyl-7-nitro-1,2-benzisoxazole
OR350004	3-Amino-5-nitro-1,2-benzisoxazole
OR902552-01	6-Bromo-1,2-benzisoxazole
OR74317-01	1,2-Benzisoxazole
OR932514-01	2,1-Benzisoxazole
OR27159-01	6-Chloro-3-hydroxy-1,2-benzisoxazole
OR110716-01	2- (Chloromethyl) -6-nitro-1,3-benzoxazole
OR110718-01	2-Methyl-6-nitro-1,3-benzoxazole
OR16963-01	2-Amino-6-nitro-1,3-benzoxazole
OR110139-01	2-Butyl-6-nitro-1,3-benzoxazole

Catalog	Name
423869-01	3-Amino-5-nitro-1,2-benzisoxazole
437931-01	6-Bromo-1,2-benzisoxazole
TRC-B130283-100MG	1,2-Benzisoxazole
423667-01	3-Amino-1,2-benzisoxazole-6-carbonitrile
FF23386-01	6-Fluoro-3- (4-piperidinyl) -1,2-benzisoxazole
TRC-F595830-1G	6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole
M3393-27A	3-Methyl-1,2-benzisoxazole-d4 (3-Methyl-1,2-Benzisoxazole-d4)
292128-01	1,2-Benzisoxazole-3-methanesulfonamide
263222-01	3- (Bromomethyl) -1,2-benzisoxazole
M288945	3-Methyl-1,2-benzisoxazole