Nitrophenols

C6H7NO3 — CID 88473196

IUPACnitrous acid;phenol
SMILESC1=CC=C(C=C1)O.N(=O)O
InChIInChI=1S/C6H6O.HNO2/c7-6-4-2-1-3-5-6;2-1-3/h1-5,7H;(H,2,3)
InChIKeyRBXVOQPAMPBADW-UHFFFAOYSA-N
MW141.12 g/mol
LogP—
Rot. Bonds

About Nitrophenols

Nitrophenols (PubChem CID 88473196) has the molecular formula C6H7NO3 and a molecular weight of 141.12 g/mol. Its IUPAC name is nitrous acid;phenol.

Molecular Properties

Compound NameNitrophenols
PubChem CID88473196
Molecular FormulaC6H7NO3
Molecular Weight141.12 g/mol
Exact Mass141.04
IUPAC Namenitrous acid;phenol
SMILESC1=CC=C(C=C1)O.N(=O)O
InChIInChI=1S/C6H6O.HNO2/c7-6-4-2-1-3-5-6;2-1-3/h1-5,7H;(H,2,3)
InChIKeyRBXVOQPAMPBADW-UHFFFAOYSA-N
XLogP—
TPSA69.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity56

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Hydroquinone
CID 785
Phenol
CID 996
Catechol
CID 289
Resorcinol
CID 5054
4-Iodophenol
CID 10894
4-Fluorophenol
CID 9732
2-Iodophenol
CID 10784
2-Fluorophenol
CID 9707
Mercufenol Chloride
CID 6999
Sodium phenoxide
CID 66602278
3-Iodophenol
CID 12272
2,6-Difluorophenol
CID 94392

Frequently Asked Questions

What is the IUPAC name of Nitrophenols?
The IUPAC name of Nitrophenols (CID 88473196) is nitrous acid;phenol.
What is the SMILES notation for Nitrophenols?
The canonical SMILES for Nitrophenols is C1=CC=C(C=C1)O.N(=O)O.
What is the InChIKey of Nitrophenols?
The InChIKey is RBXVOQPAMPBADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.HNO2/c7-6-4-2-1-3-5-6;2-1-3/h1-5,7H;(H,2,3).
What are the key properties of Nitrophenols?
Nitrophenols has a molecular weight of 141.12 g/mol, XLogP of not available, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Nitrophenols is sourced from PubChem (CID 88473196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).