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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NO3
Molecular Weight 165.1461
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzoylnitromethane

SMILES

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

InChI

InChIKey=JTWHVBNYYWFXSI-UHFFFAOYSA-N
InChI=1S/C8H7NO3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2

HIDE SMILES / InChI

Molecular Formula C8H7NO3
Molecular Weight 165.1461
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 19:33:31 GMT 2025
Edited
by admin
on Tue Apr 01 19:33:31 GMT 2025
Record UNII
84QH76NP4C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoylnitromethane
Common Name English
NSC-4509
Preferred Name English
Ethanone, 2-nitro-1-phenyl-
Systematic Name English
2-Nitro-1-phenylethanone
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80870622
Created by admin on Tue Apr 01 19:33:31 GMT 2025 , Edited by admin on Tue Apr 01 19:33:31 GMT 2025
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NSC
4509
Created by admin on Tue Apr 01 19:33:31 GMT 2025 , Edited by admin on Tue Apr 01 19:33:31 GMT 2025
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FDA UNII
84QH76NP4C
Created by admin on Tue Apr 01 19:33:31 GMT 2025 , Edited by admin on Tue Apr 01 19:33:31 GMT 2025
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CAS
614-21-1
Created by admin on Tue Apr 01 19:33:31 GMT 2025 , Edited by admin on Tue Apr 01 19:33:31 GMT 2025
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PUBCHEM
94833
Created by admin on Tue Apr 01 19:33:31 GMT 2025 , Edited by admin on Tue Apr 01 19:33:31 GMT 2025
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