(2-chloro-4-nitrophenyl) nitrite

C6H3ClN2O4 — CID 174647913

IUPAC(2-chloro-4-nitrophenyl) nitrite
SMILESO=NOc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H3ClN2O4/c7-5-3-4(9(11)12)1-2-6(5)13-8-10/h1-3H
InChIKeyGLPBAGNURHQJSR-UHFFFAOYSA-N
MW202.55 g/mol
LogP2.31
Rot. Bonds3

About (2-chloro-4-nitrophenyl) nitrite

(2-chloro-4-nitrophenyl) nitrite (PubChem CID 174647913) has the molecular formula C6H3ClN2O4 and a molecular weight of 202.55 g/mol. Its IUPAC name is (2-chloro-4-nitrophenyl) nitrite.

Molecular Properties

Compound Name(2-chloro-4-nitrophenyl) nitrite
PubChem CID174647913
Molecular FormulaC6H3ClN2O4
Molecular Weight202.55 g/mol
Exact Mass201.98
IUPAC Name(2-chloro-4-nitrophenyl) nitrite
SMILESO=NOc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H3ClN2O4/c7-5-3-4(9(11)12)1-2-6(5)13-8-10/h1-3H
InChIKeyGLPBAGNURHQJSR-UHFFFAOYSA-N
XLogP2.31
TPSA81.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.55
LogP ≤ 52.31
H-Bond Donors ≤ 50
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

2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
(2-chloro-4-nitrophenyl) acetate
CID 14345185
bis(2-chloro-4-nitrophenyl) hydrogen phosphate
CID 141057226
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103
2-chloro-1-(2-chloro-4-nitrophenoxy)-4-isocyanatobenzene
CID 21483257
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine
CID 54915300
2-chloro-1-(2,4-dibromophenoxy)-4-nitrobenzene
CID 5161397
4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
CID 67390461
2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 66921922
2-chloro-1-(3-fluoro-5-nitrophenoxy)-4-nitrobenzene
CID 80753164

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-nitrophenyl) nitrite?
The IUPAC name of (2-chloro-4-nitrophenyl) nitrite (CID 174647913) is (2-chloro-4-nitrophenyl) nitrite.
What is the SMILES notation for (2-chloro-4-nitrophenyl) nitrite?
The canonical SMILES for (2-chloro-4-nitrophenyl) nitrite is O=NOc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of (2-chloro-4-nitrophenyl) nitrite?
The InChIKey is GLPBAGNURHQJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O4/c7-5-3-4(9(11)12)1-2-6(5)13-8-10/h1-3H.
What are the key properties of (2-chloro-4-nitrophenyl) nitrite?
(2-chloro-4-nitrophenyl) nitrite has a molecular weight of 202.55 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-nitrophenyl) nitrite is sourced from PubChem (CID 174647913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).