biphenylene-2,7-dicarbonyl chloride

C14H6Cl2O2 — CID 59041868

IUPACbiphenylene-2,7-dicarbonyl chloride
SMILESO=C(Cl)c1ccc2c(c1)-c1cc(C(=O)Cl)ccc1-2
InChIInChI=1S/C14H6Cl2O2/c15-13(17)7-1-3-9-10-4-2-8(14(16)18)6-12(10)11(9)5-7/h1-6H
InChIKeyDADODFWWCPKUOX-UHFFFAOYSA-N
MW277.11 g/mol
LogP4.09
Rot. Bonds2

About biphenylene-2,7-dicarbonyl chloride

biphenylene-2,7-dicarbonyl chloride (PubChem CID 59041868) has the molecular formula C14H6Cl2O2 and a molecular weight of 277.11 g/mol. Its IUPAC name is biphenylene-2,7-dicarbonyl chloride.

Molecular Properties

Compound Namebiphenylene-2,7-dicarbonyl chloride
PubChem CID59041868
Molecular FormulaC14H6Cl2O2
Molecular Weight277.11 g/mol
Exact Mass275.97
IUPAC Namebiphenylene-2,7-dicarbonyl chloride
SMILESO=C(Cl)c1ccc2c(c1)-c1cc(C(=O)Cl)ccc1-2
InChIInChI=1S/C14H6Cl2O2/c15-13(17)7-1-3-9-10-4-2-8(14(16)18)6-12(10)11(9)5-7/h1-6H
InChIKeyDADODFWWCPKUOX-UHFFFAOYSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride
CID 87232900
2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride
CID 3557802
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134617336
benzene-1,3,5-tricarboxylic acid;1,3-dioxo-2-benzofuran-5-carbonyl chloride
CID 87560099
3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride
CID 134617312
2,3-dioxo-1H-indole-5-carbonyl chloride
CID 58833990
3-amino-4-phenylbenzoyl chloride
CID 162734876
3,4-dimethylbenzoyl chloride;methane
CID 155746404
4-carbonochloridoylphthalic acid
CID 15105982
biphenylene-2-carboxylic acid;hydrochloride
CID 70419826
3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride
CID 134618190
4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride
CID 46313258

Frequently Asked Questions

What is the IUPAC name of biphenylene-2,7-dicarbonyl chloride?
The IUPAC name of biphenylene-2,7-dicarbonyl chloride (CID 59041868) is biphenylene-2,7-dicarbonyl chloride.
What is the SMILES notation for biphenylene-2,7-dicarbonyl chloride?
The canonical SMILES for biphenylene-2,7-dicarbonyl chloride is O=C(Cl)c1ccc2c(c1)-c1cc(C(=O)Cl)ccc1-2.
What is the InChIKey of biphenylene-2,7-dicarbonyl chloride?
The InChIKey is DADODFWWCPKUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2O2/c15-13(17)7-1-3-9-10-4-2-8(14(16)18)6-12(10)11(9)5-7/h1-6H.
What are the key properties of biphenylene-2,7-dicarbonyl chloride?
biphenylene-2,7-dicarbonyl chloride has a molecular weight of 277.11 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene-2,7-dicarbonyl chloride is sourced from PubChem (CID 59041868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).