naphthalene-1,2,3,8-tetracarbonyl chloride

C14H4Cl4O4 — CID 91440128

IUPACnaphthalene-1,2,3,8-tetracarbonyl chloride
SMILESO=C(Cl)c1cc2cccc(C(=O)Cl)c2c(C(=O)Cl)c1C(=O)Cl
InChIInChI=1S/C14H4Cl4O4/c15-11(19)6-3-1-2-5-4-7(12(16)20)9(13(17)21)10(8(5)6)14(18)22/h1-4H
InChIKeyDVKGEZBZCSKVEE-UHFFFAOYSA-N
MW377.99 g/mol
LogP4.36
Rot. Bonds4

About naphthalene-1,2,3,8-tetracarbonyl chloride

naphthalene-1,2,3,8-tetracarbonyl chloride (PubChem CID 91440128) has the molecular formula C14H4Cl4O4 and a molecular weight of 377.99 g/mol. Its IUPAC name is naphthalene-1,2,3,8-tetracarbonyl chloride.

Molecular Properties

Compound Namenaphthalene-1,2,3,8-tetracarbonyl chloride
PubChem CID91440128
Molecular FormulaC14H4Cl4O4
Molecular Weight377.99 g/mol
Exact Mass375.89
IUPAC Namenaphthalene-1,2,3,8-tetracarbonyl chloride
SMILESO=C(Cl)c1cc2cccc(C(=O)Cl)c2c(C(=O)Cl)c1C(=O)Cl
InChIInChI=1S/C14H4Cl4O4/c15-11(19)6-3-1-2-5-4-7(12(16)20)9(13(17)21)10(8(5)6)14(18)22/h1-4H
InChIKeyDVKGEZBZCSKVEE-UHFFFAOYSA-N
XLogP4.36
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.99
LogP ≤ 54.36
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

benzene-1,2,3,4,5-pentacarbonyl chloride
CID 141287344
pyrene-4-carbonyl chloride
CID 71349063
naphthalene-1,4,5-tricarbonyl chloride
CID 139807498
8-methoxynaphthalene-1-carbonyl chloride
CID 14175958
benzene-1,2-dicarbonyl chloride;thiohypochlorous acid
CID 172771249
3-bromobenzene-1,2-dicarbonyl chloride
CID 87748694
4-oxo-3H-phthalazine-5-carbonyl chloride
CID 119092458
3-nitrosobenzene-1,2-dicarbonyl chloride
CID 175328999
anthracene-1,4-dicarbonyl chloride
CID 21424527
2-bromo-3-chloronaphthalene-1,8-dicarboxylic acid
CID 70631094
methanimine;perylene-3,4-dicarbonyl chloride
CID 175017468
anthracene-1,9-dicarboxylic acid
CID 13155838

Frequently Asked Questions

What is the IUPAC name of naphthalene-1,2,3,8-tetracarbonyl chloride?
The IUPAC name of naphthalene-1,2,3,8-tetracarbonyl chloride (CID 91440128) is naphthalene-1,2,3,8-tetracarbonyl chloride.
What is the SMILES notation for naphthalene-1,2,3,8-tetracarbonyl chloride?
The canonical SMILES for naphthalene-1,2,3,8-tetracarbonyl chloride is O=C(Cl)c1cc2cccc(C(=O)Cl)c2c(C(=O)Cl)c1C(=O)Cl.
What is the InChIKey of naphthalene-1,2,3,8-tetracarbonyl chloride?
The InChIKey is DVKGEZBZCSKVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4Cl4O4/c15-11(19)6-3-1-2-5-4-7(12(16)20)9(13(17)21)10(8(5)6)14(18)22/h1-4H.
What are the key properties of naphthalene-1,2,3,8-tetracarbonyl chloride?
naphthalene-1,2,3,8-tetracarbonyl chloride has a molecular weight of 377.99 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,2,3,8-tetracarbonyl chloride is sourced from PubChem (CID 91440128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).