(3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium

C12H6Cl4N2O — CID 30533

IUPAC(3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium
SMILES[O-]/[N+](=N\c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl4N2O/c13-9-3-1-7(5-11(9)15)17-18(19)8-2-4-10(14)12(16)6-8/h1-6H/b18-17-
InChIKeyBCOVXBPXQLIGEV-ZCXUNETKSA-N
MW336.01 g/mol
LogP6.23
Rot. Bonds2

About (3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium

(3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium (PubChem CID 30533) has the molecular formula C12H6Cl4N2O and a molecular weight of 336.01 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium
PubChem CID30533
Molecular FormulaC12H6Cl4N2O
Molecular Weight336.01 g/mol
Exact Mass333.92
IUPAC Name(3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium
SMILES[O-]/[N+](=N\c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl4N2O/c13-9-3-1-7(5-11(9)15)17-18(19)8-2-4-10(14)12(16)6-8/h1-6H/b18-17-
InChIKeyBCOVXBPXQLIGEV-ZCXUNETKSA-N
XLogP6.23
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.01
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,2-Dichloro-4-nitrobenzene
CID 7443
Tcab
CID 26423
4,4'-Dichloroazobenzene
CID 15340
4,4'-Dichloroazoxybenzene
CID 11960
3,4-Dichloro-N-hydroxybenzenamine
CID 92290
3,3'-Dichloroazoxybenzene
CID 260947
Diazene, 1,2-bis(2-chlorophenyl)-, 1-oxide
CID 83576
1-(4-Chlorophenyl)-2-phenyldiazene
CID 20349
3,4-Dichloro-N-(3,4-dichlorophenyl)diazenylaniline
CID 177441
3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline
CID 127025414
Diazene, bis(3-chlorophenyl)-
CID 27279
Benzene, 1,2-dichloro-4-nitroso-
CID 6455423

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium?
The IUPAC name of (3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium (CID 30533) is (3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium.
What is the SMILES notation for (3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium?
The canonical SMILES for (3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium is [O-]/[N+](=N\c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium?
The InChIKey is BCOVXBPXQLIGEV-ZCXUNETKSA-N. The full InChI is InChI=1S/C12H6Cl4N2O/c13-9-3-1-7(5-11(9)15)17-18(19)8-2-4-10(14)12(16)6-8/h1-6H/b18-17-.
What are the key properties of (3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium?
(3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium has a molecular weight of 336.01 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium is sourced from PubChem (CID 30533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).