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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6N2O3S
Molecular Weight 210.21
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHOXY-5-NITRO-1,2-BENZOISOTHIAZOLE

SMILES

COC1=NSC2=C1C=C(C=C2)[N+]([O-])=O

InChI

InChIKey=LMEVWYJONLGKSE-UHFFFAOYSA-N
InChI=1S/C8H6N2O3S/c1-13-8-6-4-5(10(11)12)2-3-7(6)14-9-8/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula C8H6N2O3S
Molecular Weight 210.21
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:32:44 GMT 2023
Edited
by admin
on Sat Dec 16 08:32:44 GMT 2023
Record UNII
X7ND9QU5NP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHOXY-5-NITRO-1,2-BENZOISOTHIAZOLE
Systematic Name English
1,2-BENZISOTHIAZOLE, 3-METHOXY-5-NITRO-
Systematic Name English
Code System Code Type Description
PUBCHEM
198468
Created by admin on Sat Dec 16 08:32:44 GMT 2023 , Edited by admin on Sat Dec 16 08:32:44 GMT 2023
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FDA UNII
X7ND9QU5NP
Created by admin on Sat Dec 16 08:32:44 GMT 2023 , Edited by admin on Sat Dec 16 08:32:44 GMT 2023
PRIMARY
CAS
64099-26-9
Created by admin on Sat Dec 16 08:32:44 GMT 2023 , Edited by admin on Sat Dec 16 08:32:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID70214298
Created by admin on Sat Dec 16 08:32:44 GMT 2023 , Edited by admin on Sat Dec 16 08:32:44 GMT 2023
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