Summary

IMPPAT Phytochemical identifier: IMPHY013769

Phytochemical name: 3-Nitrophenol

Synonymous chemical names:
m-nitrophenol

External chemical identifiers:
CID:11137, ChEMBL:CHEMBL13888, ChEBI:34346, ZINC:ZINC000001576887, FDASRS:T6P4T52V9W, SureChEMBL:SCHEMBL50135, MolPort-001-757-275

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Chemical structure information

SMILES:
Oc1cccc(c1)[N+](=O)[O-]

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

InChIKey:
RTZZCYNQPHTPPL-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)[N+]=O)[O-]

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: -0.806

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Chemical structure download