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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4N2O3
Molecular Weight 164.1183
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-Nitrophenyl isocyanate

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C7H4N2O3
Molecular Weight 164.1183
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:41:45 GMT 2025
Edited
by admin
on Tue Apr 01 18:41:45 GMT 2025
Record UNII
L4X2CUC34D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-9800
Preferred Name English
4-Nitrophenyl isocyanate
Systematic Name English
1-Isocyanato-4-nitrobenzene
Systematic Name English
p-Nitrophenyl isocyanate
Systematic Name English
Benzene, 1-isocyanato-4-nitro-
Systematic Name English
1-Nitro-4-isocyanatobenzene
Systematic Name English
Code System Code Type Description
CAS
100-28-7
Created by admin on Tue Apr 01 18:41:45 GMT 2025 , Edited by admin on Tue Apr 01 18:41:45 GMT 2025
PRIMARY
ECHA (EC/EINECS)
202-836-3
Created by admin on Tue Apr 01 18:41:45 GMT 2025 , Edited by admin on Tue Apr 01 18:41:45 GMT 2025
PRIMARY
PUBCHEM
66012
Created by admin on Tue Apr 01 18:41:45 GMT 2025 , Edited by admin on Tue Apr 01 18:41:45 GMT 2025
PRIMARY
NSC
9800
Created by admin on Tue Apr 01 18:41:45 GMT 2025 , Edited by admin on Tue Apr 01 18:41:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID80870440
Created by admin on Tue Apr 01 18:41:45 GMT 2025 , Edited by admin on Tue Apr 01 18:41:45 GMT 2025
PRIMARY
FDA UNII
L4X2CUC34D
Created by admin on Tue Apr 01 18:41:45 GMT 2025 , Edited by admin on Tue Apr 01 18:41:45 GMT 2025
PRIMARY