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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5F3N2O6S
Molecular Weight 302.185
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-5-NITRO-4-(TRIFLUOROMETHYL)PHENOL, 1-(HYDROGEN SULFATE)

SMILES

NC1=CC(=C(C=C1OS(O)(=O)=O)[N+]([O-])=O)C(F)(F)F

InChI

InChIKey=KWFJMCLUVFXBDY-UHFFFAOYSA-N
InChI=1S/C7H5F3N2O6S/c8-7(9,10)3-1-4(11)6(18-19(15,16)17)2-5(3)12(13)14/h1-2H,11H2,(H,15,16,17)

HIDE SMILES / InChI

Molecular Formula C7H5F3N2O6S
Molecular Weight 302.185
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 Mon Mar 31 22:42:47 GMT 2025
Edited
by admin
on Mon Mar 31 22:42:47 GMT 2025
Record UNII
48RRY4P6SJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENOL, 2-AMINO-5-NITRO-4-(TRIFLUOROMETHYL)-, 1-(HYDROGEN SULFATE)
Preferred Name English
2-AMINO-5-NITRO-4-(TRIFLUOROMETHYL)PHENOL, 1-(HYDROGEN SULFATE)
Common Name English
Code System Code Type Description
CAS
956028-91-4
Created by admin on Mon Mar 31 22:42:47 GMT 2025 , Edited by admin on Mon Mar 31 22:42:47 GMT 2025
PRIMARY
PUBCHEM
156596446
Created by admin on Mon Mar 31 22:42:47 GMT 2025 , Edited by admin on Mon Mar 31 22:42:47 GMT 2025
PRIMARY
FDA UNII
48RRY4P6SJ
Created by admin on Mon Mar 31 22:42:47 GMT 2025 , Edited by admin on Mon Mar 31 22:42:47 GMT 2025
PRIMARY
Related Record Type Details
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