1-chloro-2-nitrobenzene;2-nitrophenol

C12H9ClN2O5 — CID 175689577

IUPAC1-chloro-2-nitrobenzene;2-nitrophenol
SMILESO=[N+]([O-])c1ccccc1Cl.O=[N+]([O-])c1ccccc1O
InChIInChI=1S/C6H4ClNO2.C6H5NO3/c7-5-3-1-2-4-6(5)8(9)10;8-6-4-2-1-3-5(6)7(9)10/h1-4H;1-4,8H
InChIKeyRSBMVAUWNNSWQF-UHFFFAOYSA-N
MW296.67 g/mol
LogP3.55
Rot. Bonds2

About 1-chloro-2-nitrobenzene;2-nitrophenol

1-chloro-2-nitrobenzene;2-nitrophenol (PubChem CID 175689577) has the molecular formula C12H9ClN2O5 and a molecular weight of 296.67 g/mol. Its IUPAC name is 1-chloro-2-nitrobenzene;2-nitrophenol.

Molecular Properties

Compound Name1-chloro-2-nitrobenzene;2-nitrophenol
PubChem CID175689577
Molecular FormulaC12H9ClN2O5
Molecular Weight296.67 g/mol
Exact Mass296.02
IUPAC Name1-chloro-2-nitrobenzene;2-nitrophenol
SMILESO=[N+]([O-])c1ccccc1Cl.O=[N+]([O-])c1ccccc1O
InChIInChI=1S/C6H4ClNO2.C6H5NO3/c7-5-3-1-2-4-6(5)8(9)10;8-6-4-2-1-3-5(6)7(9)10/h1-4H;1-4,8H
InChIKeyRSBMVAUWNNSWQF-UHFFFAOYSA-N
XLogP3.55
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.67
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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CID 23467444
1-chloro-2-nitrobenzene;methanol
CID 157371441
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disodium;hydride;2-nitrophenol
CID 174745512
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
formamide;2-nitrophenol
CID 20538790
molecular hydrogen;2-nitrophenol;phenol;hydrochloride
CID 174404115
sodium;2-amino-4-chlorophenol;1-chloro-2-nitrobenzene;chlorate;hydrochloride
CID 160565149
2-nitroguanidine;2-nitrophenol
CID 18323468
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178
1-chloro-2-methyl-3-nitrobenzene
CID 6740
2-chloro-6-nitrobenzoic acid
CID 170923318

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-nitrobenzene;2-nitrophenol?
The IUPAC name of 1-chloro-2-nitrobenzene;2-nitrophenol (CID 175689577) is 1-chloro-2-nitrobenzene;2-nitrophenol.
What is the SMILES notation for 1-chloro-2-nitrobenzene;2-nitrophenol?
The canonical SMILES for 1-chloro-2-nitrobenzene;2-nitrophenol is O=[N+]([O-])c1ccccc1Cl.O=[N+]([O-])c1ccccc1O.
What is the InChIKey of 1-chloro-2-nitrobenzene;2-nitrophenol?
The InChIKey is RSBMVAUWNNSWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2.C6H5NO3/c7-5-3-1-2-4-6(5)8(9)10;8-6-4-2-1-3-5(6)7(9)10/h1-4H;1-4,8H.
What are the key properties of 1-chloro-2-nitrobenzene;2-nitrophenol?
1-chloro-2-nitrobenzene;2-nitrophenol has a molecular weight of 296.67 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-nitrobenzene;2-nitrophenol is sourced from PubChem (CID 175689577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).