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Details

Stereochemistry ACHIRAL
Molecular Formula C10H13NO3
Molecular Weight 195.2151
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-NITRO-4-TERT-BUTYLPHENOL

SMILES

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

InChI

InChIKey=IHGNADPMUSNTJW-UHFFFAOYSA-N
InChI=1S/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H13NO3
Molecular Weight 195.2151
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 Tue Apr 01 19:33:42 GMT 2025
Edited
by admin
on Tue Apr 01 19:33:42 GMT 2025
Record UNII
Q94NDU9GTF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-NITRO-4-TERT-BUTYLPHENOL
Common Name English
PHENOL, 4-(1,1-DIMETHYLETHYL)-2-NITRO-
Preferred Name English
4-(1,1-DIMETHYLETHYL)-2-NITROPHENOL
Systematic Name English
NSC-36629
Code English
4-TERT-BUTYL-2-NITROPHENOL
Common Name English
Code System Code Type Description
CAS
3279-07-0
Created by admin on Tue Apr 01 19:33:42 GMT 2025 , Edited by admin on Tue Apr 01 19:33:42 GMT 2025
PRIMARY
PUBCHEM
18661
Created by admin on Tue Apr 01 19:33:42 GMT 2025 , Edited by admin on Tue Apr 01 19:33:42 GMT 2025
PRIMARY
NSC
36629
Created by admin on Tue Apr 01 19:33:42 GMT 2025 , Edited by admin on Tue Apr 01 19:33:42 GMT 2025
PRIMARY
ECHA (EC/EINECS)
221-914-8
Created by admin on Tue Apr 01 19:33:42 GMT 2025 , Edited by admin on Tue Apr 01 19:33:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID9074642
Created by admin on Tue Apr 01 19:33:42 GMT 2025 , Edited by admin on Tue Apr 01 19:33:42 GMT 2025
PRIMARY
FDA UNII
Q94NDU9GTF
Created by admin on Tue Apr 01 19:33:42 GMT 2025 , Edited by admin on Tue Apr 01 19:33:42 GMT 2025
PRIMARY