Summary

IMPPAT Phytochemical identifier: IMPHY012066

Phytochemical name: 2-Nitrophenol

Synonymous chemical names:
2-nitrophenol, o-nitrophenol

External chemical identifiers:
CID:6947, ChEMBL:CHEMBL14205, ChEBI:16260, ZINC:ZINC000034719541, FDASRS:BD148E95KD, SureChEMBL:SCHEMBL26026, MolPort-000-690-271

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Chemical structure information

SMILES:
[O-][N+](=O)c1ccccc1O

InChI:
InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H

InChIKey:
IQUPABOKLQSFBK-UHFFFAOYSA-N

DeepSMILES:
[O-][N+]=O)cccccc6O

Functional groups:
cO, c[N+](=O)[O-]

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Nitrophenols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.928

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Chemical structure download