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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6N2O5
Molecular Weight 198.1329
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DINITROBENZYL ALCOHOL

SMILES

OCC1=CC=C(C(=C1)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=GALBVKDHQBDIJR-UHFFFAOYSA-N
InChI=1S/C7H6N2O5/c10-4-5-1-2-6(8(11)12)7(3-5)9(13)14/h1-3,10H,4H2

HIDE SMILES / InChI

Molecular Formula C7H6N2O5
Molecular Weight 198.1329
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 12:12:19 GMT 2023
Edited
by admin
on Sat Dec 16 12:12:19 GMT 2023
Record UNII
QGR7VYD4JX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DINITROBENZYL ALCOHOL
Systematic Name English
BENZENEMETHANOL, 3,4-DINITRO-
Systematic Name English
3,4-DINITROBENZENEMETHANOL
Systematic Name English
(3,4-DINITROPHENYL)METHANOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90229763
Created by admin on Sat Dec 16 12:12:19 GMT 2023 , Edited by admin on Sat Dec 16 12:12:19 GMT 2023
PRIMARY
CAS
79544-31-3
Created by admin on Sat Dec 16 12:12:19 GMT 2023 , Edited by admin on Sat Dec 16 12:12:19 GMT 2023
PRIMARY
ECHA (EC/EINECS)
279-178-9
Created by admin on Sat Dec 16 12:12:19 GMT 2023 , Edited by admin on Sat Dec 16 12:12:19 GMT 2023
PRIMARY
PUBCHEM
157302
Created by admin on Sat Dec 16 12:12:19 GMT 2023 , Edited by admin on Sat Dec 16 12:12:19 GMT 2023
PRIMARY
FDA UNII
QGR7VYD4JX
Created by admin on Sat Dec 16 12:12:19 GMT 2023 , Edited by admin on Sat Dec 16 12:12:19 GMT 2023
PRIMARY