2-chlorophenol;2-nitrophenol

C12H10ClNO4 — CID 23467444

IUPAC2-chlorophenol;2-nitrophenol
SMILESO=[N+]([O-])c1ccccc1O.Oc1ccccc1Cl
InChIInChI=1S/C6H5ClO.C6H5NO3/c7-5-3-1-2-4-6(5)8;8-6-4-2-1-3-5(6)7(9)10/h1-4,8H;1-4,8H
InChIKeyALVWCHPZEUMGQW-UHFFFAOYSA-N
MW267.67 g/mol
LogP3.35
Rot. Bonds1

About 2-chlorophenol;2-nitrophenol

2-chlorophenol;2-nitrophenol (PubChem CID 23467444) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 2-chlorophenol;2-nitrophenol.

Molecular Properties

Compound Name2-chlorophenol;2-nitrophenol
PubChem CID23467444
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name2-chlorophenol;2-nitrophenol
SMILESO=[N+]([O-])c1ccccc1O.Oc1ccccc1Cl
InChIInChI=1S/C6H5ClO.C6H5NO3/c7-5-3-1-2-4-6(5)8;8-6-4-2-1-3-5(6)7(9)10/h1-4,8H;1-4,8H
InChIKeyALVWCHPZEUMGQW-UHFFFAOYSA-N
XLogP3.35
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 53.35
H-Bond Donors ≤ 52
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

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disodium;hydride;2-nitrophenol
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1-chloro-2-nitrobenzene;methanol
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formamide;2-nitrophenol
CID 20538790
molecular hydrogen;2-nitrophenol;phenol;hydrochloride
CID 174404115
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
bis(2-chlorophenol);tungsten
CID 88625581
2-nitroguanidine;2-nitrophenol
CID 18323468
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178
1-chloro-2-(2-chlorophenoxy)-4-methyl-5-nitrobenzene;2-chlorophenol;1,2-dichloro-4-methyl-5-nitrobenzene
CID 159310224
1-chloro-2-methyl-3-nitrobenzene
CID 6740

Frequently Asked Questions

What is the IUPAC name of 2-chlorophenol;2-nitrophenol?
The IUPAC name of 2-chlorophenol;2-nitrophenol (CID 23467444) is 2-chlorophenol;2-nitrophenol.
What is the SMILES notation for 2-chlorophenol;2-nitrophenol?
The canonical SMILES for 2-chlorophenol;2-nitrophenol is O=[N+]([O-])c1ccccc1O.Oc1ccccc1Cl.
What is the InChIKey of 2-chlorophenol;2-nitrophenol?
The InChIKey is ALVWCHPZEUMGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO.C6H5NO3/c7-5-3-1-2-4-6(5)8;8-6-4-2-1-3-5(6)7(9)10/h1-4,8H;1-4,8H.
What are the key properties of 2-chlorophenol;2-nitrophenol?
2-chlorophenol;2-nitrophenol has a molecular weight of 267.67 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorophenol;2-nitrophenol is sourced from PubChem (CID 23467444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).