2,3-dichlorobenzoyl cyanide

C8H3Cl2NO — CID 2735968

IUPAC2,3-dichlorobenzoyl cyanide
SMILESN#CC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C8H3Cl2NO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3H
InChIKeyFIBBFBXFASKAON-UHFFFAOYSA-N
MW200.02 g/mol
LogP2.70
Rot. Bonds1

About 2,3-dichlorobenzoyl cyanide

2,3-dichlorobenzoyl cyanide (PubChem CID 2735968) has the molecular formula C8H3Cl2NO and a molecular weight of 200.02 g/mol. Its IUPAC name is 2,3-dichlorobenzoyl cyanide.

Molecular Properties

Compound Name2,3-dichlorobenzoyl cyanide
PubChem CID2735968
Molecular FormulaC8H3Cl2NO
Molecular Weight200.02 g/mol
Exact Mass198.96
IUPAC Name2,3-dichlorobenzoyl cyanide
SMILESN#CC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C8H3Cl2NO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3H
InChIKeyFIBBFBXFASKAON-UHFFFAOYSA-N
XLogP2.70
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.02
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2',3',4'-Trichloroacetophenone
CID 26132
Ethanone, 1-(3,4-dichlorophenyl)-
CID 75841
2,3-Dichlorobenzoyl chloride
CID 17944
3-(3-Chlorophenyl)-3-oxopropanenitrile
CID 140855
4-Chlorobenzoylacetonitrile
CID 138308
1-(2,3-Dichlorophenyl)ethan-1-one
CID 91986
4-(4-Chlorophenyl)-4-oxobutanenitrile
CID 587352
2-Chlorobenzoylacetonitrile
CID 2734201
3-(3,4-Dichlorophenyl)-3-oxopropanenitrile
CID 2758063
4-Chlorobenzoyl cyanide
CID 9834051
(E)-2-benzoyl-3-(3-chlorophenyl)prop-2-enenitrile
CID 5388642
1-(3,4-Dichlorophenyl)-1-propanone
CID 599598

Frequently Asked Questions

What is the IUPAC name of 2,3-dichlorobenzoyl cyanide?
The IUPAC name of 2,3-dichlorobenzoyl cyanide (CID 2735968) is 2,3-dichlorobenzoyl cyanide.
What is the SMILES notation for 2,3-dichlorobenzoyl cyanide?
The canonical SMILES for 2,3-dichlorobenzoyl cyanide is N#CC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichlorobenzoyl cyanide?
The InChIKey is FIBBFBXFASKAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2NO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3H.
What are the key properties of 2,3-dichlorobenzoyl cyanide?
2,3-dichlorobenzoyl cyanide has a molecular weight of 200.02 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichlorobenzoyl cyanide is sourced from PubChem (CID 2735968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).