2-Chloro-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione

IUPAC: 2-chloro-3-(4-chloroanilino)naphthalene-1,4-dione

CAS 64505-81-3
C16H9Cl2NO2

2-Chloro-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione (CAS 64505-81-3) is a chemical compound with molecular formula C16H9Cl2NO2 and molecular weight 318.2 g/mol .

What is 2-Chloro-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione?

Molecular Formula
C16H9Cl2NO2
Molecular Weight
318.20 g/mol

Structure Identifiers

SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H9Cl2NO2/c17-9-5-7-10(8-6-9)19-14-13(18)15(20)11-3-1-2-4-12(11)16(14)21/h1-8,19H
InChIKey
LBKUWRCJEFJUNW-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
317.0010 Da
XLogP
3.80
TPSA
46.2 Ų
H-Bond Donors
1
H-Bond Acceptors
3
Complexity
481
Formal Charge
0

Safety information

No safety data available for this chemical.

Synonyms (20)

  • CCG-8647
  • NSC102397
  • STL016605
  • 64505-81-3
  • NSC-102397
  • CDS1_003819
  • AKOS001660047
  • DivK1c_004859
  • CBMicro_017323
  • DTXSID30295508
  • SCHEMBL32664539
  • BIM-0017280.P001
  • 2-chloro-3-(4-chloroanilino)naphthoquinone
  • 2-chloro-3-[(4-chlorophenyl)amino]naphthoquinone
  • 2-chloro-3-(4-chloroanilino)naphthalene-1,4-dione
  • 2-chloro-3-(4-chlorophenylamino)-1,4-naphthoquinone
  • 2-Chloro-3-((4-chlorophenyl)amino)naphthalene-1,4-dione
  • 2-chloro-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione
  • 1,4-Naphthalenedione,2-chloro-3-[(4-chlorophenyl)amino]-
  • 2-CHLORO-3-[(4-CHLOROPHENYL)AMINO]-1,4-DIHYDRONAPHTHALENE-1,4-DIONE

Frequently asked questions

What is the CAS number of 2-Chloro-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione?

The CAS Registry Number for 2-Chloro-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione is 64505-81-3.

What is the IUPAC name of 2-Chloro-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione?

The IUPAC name of 2-Chloro-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione is 2-chloro-3-(4-chloroanilino)naphthalene-1,4-dione.

What is the molecular formula of 2-Chloro-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione?

2-Chloro-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione has the molecular formula C16H9Cl2NO2 and a molecular weight of 318.2 g/mol.

What is the SMILES notation for 2-Chloro-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione?

The SMILES notation for 2-Chloro-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione is C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)Cl.

What are other names for 2-Chloro-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione?

2-Chloro-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione is also known as 1,4-Naphthalenedione,2-chloro-3-[(4-chlorophenyl)amino]-, 2-Chloro-3-((4-chlorophenyl)amino)naphthalene-1,4-dione, 2-chloro-3-(4-chloroanilino)naphthalene-1,4-dione, 2-chloro-3-(4-chloroanilino)naphthoquinone, 2-chloro-3-(4-chlorophenylamino)-1,4-naphthoquinone.

Data sourced from PubChem CID 265868. Last updated .

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