4-nitrophenol;phenyl hypochlorite

C12H10ClNO4 — CID 174923646

IUPAC4-nitrophenol;phenyl hypochlorite
SMILESClOc1ccccc1.O=[N+]([O-])c1ccc(O)cc1
InChIInChI=1S/C6H5ClO.C6H5NO3/c7-8-6-4-2-1-3-5-6;8-6-3-1-5(2-4-6)7(9)10/h1-5H;1-4,8H
InChIKeyVFCVHMAEVMFPLC-UHFFFAOYSA-N
MW267.67 g/mol
LogP3.52
Rot. Bonds2

About 4-nitrophenol;phenyl hypochlorite

4-nitrophenol;phenyl hypochlorite (PubChem CID 174923646) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 4-nitrophenol;phenyl hypochlorite.

Molecular Properties

Compound Name4-nitrophenol;phenyl hypochlorite
PubChem CID174923646
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name4-nitrophenol;phenyl hypochlorite
SMILESClOc1ccccc1.O=[N+]([O-])c1ccc(O)cc1
InChIInChI=1S/C6H5ClO.C6H5NO3/c7-8-6-4-2-1-3-5-6;8-6-3-1-5(2-4-6)7(9)10/h1-5H;1-4,8H
InChIKeyVFCVHMAEVMFPLC-UHFFFAOYSA-N
XLogP3.52
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-nitrophenol
CID 88714583
4-nitrophenol;phosphane
CID 157153413
CID 6330464
CID 6330464
calcium;hydride;4-nitrophenol
CID 173414286
4-nitrophenol;propan-2-one
CID 18924338
carbonic acid;4-nitrophenol;phenylmethanol
CID 129275137
4-hydroxybenzoic acid;4-nitrobenzoic acid
CID 174864813
naphthalen-2-ol;nitrobenzene
CID 163774452
4-methylphenol;4-nitrophenol
CID 68529378
octakis(4-nitrophenol);tetrakis(1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane);tetrahydrate
CID 139075544
carbonic acid;nitrobenzene
CID 68662598
carbonic acid;nitrobenzene
CID 158100196

Frequently Asked Questions

What is the IUPAC name of 4-nitrophenol;phenyl hypochlorite?
The IUPAC name of 4-nitrophenol;phenyl hypochlorite (CID 174923646) is 4-nitrophenol;phenyl hypochlorite.
What is the SMILES notation for 4-nitrophenol;phenyl hypochlorite?
The canonical SMILES for 4-nitrophenol;phenyl hypochlorite is ClOc1ccccc1.O=[N+]([O-])c1ccc(O)cc1.
What is the InChIKey of 4-nitrophenol;phenyl hypochlorite?
The InChIKey is VFCVHMAEVMFPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO.C6H5NO3/c7-8-6-4-2-1-3-5-6;8-6-3-1-5(2-4-6)7(9)10/h1-5H;1-4,8H.
What are the key properties of 4-nitrophenol;phenyl hypochlorite?
4-nitrophenol;phenyl hypochlorite has a molecular weight of 267.67 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrophenol;phenyl hypochlorite is sourced from PubChem (CID 174923646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).