1,2-dichlorobenzene;nitromethane

C7H7Cl2NO2 — CID 174874189

IUPAC1,2-dichlorobenzene;nitromethane
SMILESC[N+](=O)[O-].Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.CH3NO2/c7-5-3-1-2-4-6(5)8;1-2(3)4/h1-4H;1H3
InChIKeyOGUYVFXLXYBZNA-UHFFFAOYSA-N
MW208.04 g/mol
LogP2.89
Rot. Bonds

About 1,2-dichlorobenzene;nitromethane

1,2-dichlorobenzene;nitromethane (PubChem CID 174874189) has the molecular formula C7H7Cl2NO2 and a molecular weight of 208.04 g/mol. Its IUPAC name is 1,2-dichlorobenzene;nitromethane.

Molecular Properties

Compound Name1,2-dichlorobenzene;nitromethane
PubChem CID174874189
Molecular FormulaC7H7Cl2NO2
Molecular Weight208.04 g/mol
Exact Mass206.99
IUPAC Name1,2-dichlorobenzene;nitromethane
SMILESC[N+](=O)[O-].Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.CH3NO2/c7-5-3-1-2-4-6(5)8;1-2(3)4/h1-4H;1H3
InChIKeyOGUYVFXLXYBZNA-UHFFFAOYSA-N
XLogP2.89
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;methanol
CID 157371441
1-chloro-2-(1-nitroethyl)benzene
CID 21252639
azane;1,2-dichlorobenzene
CID 70584322
ethynylbenzene;nitromethane
CID 161408391
1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene
CID 132608056
(2-chlorophenyl) nitrate
CID 141071843
calcium;1,2-dichlorobenzene;diformate
CID 174875023
1,2-dichlorobenzene;hydrate;hydrochloride
CID 141479272
potassium 1-chloro-2-(dinitromethyl)benzene
CID 75538908
1-chloro-2-methyl-3-nitrobenzene
CID 6740
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
1,2-bis(bromomethyl)benzene;nitromethane
CID 160729854

Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;nitromethane?
The IUPAC name of 1,2-dichlorobenzene;nitromethane (CID 174874189) is 1,2-dichlorobenzene;nitromethane.
What is the SMILES notation for 1,2-dichlorobenzene;nitromethane?
The canonical SMILES for 1,2-dichlorobenzene;nitromethane is C[N+](=O)[O-].Clc1ccccc1Cl.
What is the InChIKey of 1,2-dichlorobenzene;nitromethane?
The InChIKey is OGUYVFXLXYBZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.CH3NO2/c7-5-3-1-2-4-6(5)8;1-2(3)4/h1-4H;1H3.
What are the key properties of 1,2-dichlorobenzene;nitromethane?
1,2-dichlorobenzene;nitromethane has a molecular weight of 208.04 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;nitromethane is sourced from PubChem (CID 174874189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).