Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018270

Phytochemical name: 2,6-Diiodo-4-nitrophenol

Synonymous chemical names:
2,6-Diiodo-4-nitrophenol

External chemical identifiers:
CID:CID_9370, ChEMBL:CHEMBL1361334, ZINC:ZINC000003861130, FDASRS:39S5ZJ6SYN, SureChEMBL:SCHEMBL205059, Molport-003-926-497

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Chemical structure information

SMILES:
[O-][N+](=O)c1cc(I)c(c(c1)I)O

InChI:
InChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H

InChIKey:
UVGTXNPVQOQFQW-UHFFFAOYSA-N

DeepSMILES:
[O-][N+]=O)cccI)ccc6)I))O

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

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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-Likeness score: -0.715

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Chemical structure download