1-chloro-2-nitrobenzene;methanol

C7H8ClNO3 — CID 157371441

IUPAC1-chloro-2-nitrobenzene;methanol
SMILESCO.O=[N+]([O-])c1ccccc1Cl
InChIInChI=1S/C6H4ClNO2.CH4O/c7-5-3-1-2-4-6(5)8(9)10;1-2/h1-4H;2H,1H3
InChIKeyBJUSRVABPSDFLU-UHFFFAOYSA-N
MW189.60 g/mol
LogP1.86
Rot. Bonds1

About 1-chloro-2-nitrobenzene;methanol

1-chloro-2-nitrobenzene;methanol (PubChem CID 157371441) has the molecular formula C7H8ClNO3 and a molecular weight of 189.60 g/mol. Its IUPAC name is 1-chloro-2-nitrobenzene;methanol.

Molecular Properties

Compound Name1-chloro-2-nitrobenzene;methanol
PubChem CID157371441
Molecular FormulaC7H8ClNO3
Molecular Weight189.60 g/mol
Exact Mass189.02
IUPAC Name1-chloro-2-nitrobenzene;methanol
SMILESCO.O=[N+]([O-])c1ccccc1Cl
InChIInChI=1S/C6H4ClNO2.CH4O/c7-5-3-1-2-4-6(5)8(9)10;1-2/h1-4H;2H,1H3
InChIKeyBJUSRVABPSDFLU-UHFFFAOYSA-N
XLogP1.86
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-chloro-2-nitrobenzene;2-nitrophenol
CID 175689577
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
2-chlorophenol;2-nitrophenol
CID 23467444
methanol;2-nitrophenol
CID 157303764
1-chloro-2-methyl-3-nitrobenzene
CID 6740
1,2-dichlorobenzene;nitromethane
CID 174874189
2-chloro-6-nitrobenzoic acid
CID 170923318
1-(2-chloro-6-nitrophenyl)-2-methylpropan-1-one
CID 146654141
1-(2-chloro-6-nitrophenyl)propan-1-one
CID 131073347
methanol;(2-nitrophenyl)methanol
CID 70046885
azanide;1,2-dinitrobenzene;platinum
CID 158959684
sodium;2-amino-4-chlorophenol;1-chloro-2-nitrobenzene;chlorate;hydrochloride
CID 160565149

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-nitrobenzene;methanol?
The IUPAC name of 1-chloro-2-nitrobenzene;methanol (CID 157371441) is 1-chloro-2-nitrobenzene;methanol.
What is the SMILES notation for 1-chloro-2-nitrobenzene;methanol?
The canonical SMILES for 1-chloro-2-nitrobenzene;methanol is CO.O=[N+]([O-])c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-nitrobenzene;methanol?
The InChIKey is BJUSRVABPSDFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2.CH4O/c7-5-3-1-2-4-6(5)8(9)10;1-2/h1-4H;2H,1H3.
What are the key properties of 1-chloro-2-nitrobenzene;methanol?
1-chloro-2-nitrobenzene;methanol has a molecular weight of 189.60 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-nitrobenzene;methanol is sourced from PubChem (CID 157371441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).