3-nitrosobenzene-1,2-dicarbonyl chloride

C8H3Cl2NO3 — CID 175328999

IUPAC3-nitrosobenzene-1,2-dicarbonyl chloride
SMILESO=Nc1cccc(C(=O)Cl)c1C(=O)Cl
InChIInChI=1S/C8H3Cl2NO3/c9-7(12)4-2-1-3-5(11-14)6(4)8(10)13/h1-3H
InChIKeyWBGXOJFKBQABFR-UHFFFAOYSA-N
MW232.02 g/mol
LogP2.84
Rot. Bonds3

About 3-nitrosobenzene-1,2-dicarbonyl chloride

3-nitrosobenzene-1,2-dicarbonyl chloride (PubChem CID 175328999) has the molecular formula C8H3Cl2NO3 and a molecular weight of 232.02 g/mol. Its IUPAC name is 3-nitrosobenzene-1,2-dicarbonyl chloride.

Molecular Properties

Compound Name3-nitrosobenzene-1,2-dicarbonyl chloride
PubChem CID175328999
Molecular FormulaC8H3Cl2NO3
Molecular Weight232.02 g/mol
Exact Mass230.95
IUPAC Name3-nitrosobenzene-1,2-dicarbonyl chloride
SMILESO=Nc1cccc(C(=O)Cl)c1C(=O)Cl
InChIInChI=1S/C8H3Cl2NO3/c9-7(12)4-2-1-3-5(11-14)6(4)8(10)13/h1-3H
InChIKeyWBGXOJFKBQABFR-UHFFFAOYSA-N
XLogP2.84
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.02
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromobenzene-1,2-dicarbonyl chloride
CID 87748694
3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride
CID 134935810
2,3-bis(sulfinylamino)benzoyl chloride
CID 19021054
1-(2-hydroxy-3-nitrosophenyl)ethanone
CID 152988503
benzene-1,2,3,4,5-pentacarbonyl chloride
CID 141287344
benzene-1,2-dicarbonyl chloride;thiohypochlorous acid
CID 172771249
3-carbonochloridoyl-2-methylbenzoic acid
CID 89389383
3-butylbenzene-1,2-dicarbonyl chloride
CID 18925831
naphthalene-1,2,3,8-tetracarbonyl chloride
CID 91440128
3-nitroso-2-nitrosooxybenzoic acid
CID 174416036
naphthalene-1,4,5-tricarbonyl chloride
CID 139807498
3,4-dibromobenzene-1,2-dicarbonyl chloride
CID 101290918

Frequently Asked Questions

What is the IUPAC name of 3-nitrosobenzene-1,2-dicarbonyl chloride?
The IUPAC name of 3-nitrosobenzene-1,2-dicarbonyl chloride (CID 175328999) is 3-nitrosobenzene-1,2-dicarbonyl chloride.
What is the SMILES notation for 3-nitrosobenzene-1,2-dicarbonyl chloride?
The canonical SMILES for 3-nitrosobenzene-1,2-dicarbonyl chloride is O=Nc1cccc(C(=O)Cl)c1C(=O)Cl.
What is the InChIKey of 3-nitrosobenzene-1,2-dicarbonyl chloride?
The InChIKey is WBGXOJFKBQABFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2NO3/c9-7(12)4-2-1-3-5(11-14)6(4)8(10)13/h1-3H.
What are the key properties of 3-nitrosobenzene-1,2-dicarbonyl chloride?
3-nitrosobenzene-1,2-dicarbonyl chloride has a molecular weight of 232.02 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrosobenzene-1,2-dicarbonyl chloride is sourced from PubChem (CID 175328999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).