2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate

C12H8ClN5O6S — CID 53471226

IUPAC2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate
SMILESN#[N+]c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1Cl.O=S(=O)([O-])O
InChIInChI=1S/C12H7ClN5O2.H2O4S/c13-11-7-9(3-6-12(11)15-14)17-16-8-1-4-10(5-2-8)18(19)20;1-5(2,3)4/h1-7H;(H2,1,2,3,4)/q+1;/p-1/b17-16+;
InChIKeyLEAZYQHEKMLEMJ-CMBBICFISA-M
MW385.75 g/mol
LogP4.15
Rot. Bonds3

About 2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate

2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate (PubChem CID 53471226) has the molecular formula C12H8ClN5O6S and a molecular weight of 385.75 g/mol. Its IUPAC name is 2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate.

Molecular Properties

Compound Name2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate
PubChem CID53471226
Molecular FormulaC12H8ClN5O6S
Molecular Weight385.75 g/mol
Exact Mass384.99
IUPAC Name2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate
SMILESN#[N+]c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1Cl.O=S(=O)([O-])O
InChIInChI=1S/C12H7ClN5O2.H2O4S/c13-11-7-9(3-6-12(11)15-14)17-16-8-1-4-10(5-2-8)18(19)20;1-5(2,3)4/h1-7H;(H2,1,2,3,4)/q+1;/p-1/b17-16+;
InChIKeyLEAZYQHEKMLEMJ-CMBBICFISA-M
XLogP4.15
TPSA173.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.75
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-4-nitrobenzenediazonium;hydrogen sulfate
CID 14528947
hydrogen sulfate;2-methylsulfonyl-4-nitrobenzenediazonium
CID 71374569
2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium
CID 59112489
2-[(2-chloro-4-nitrophenyl)diazenyl]-5-methoxy-4-methylbenzenediazonium;hydrogen sulfate
CID 57356757
3,4,6-trichloro-2-[(4-nitrophenyl)diazenyl]phenol
CID 136695318
5-hydroxy-2-[(4-nitrophenyl)diazenyl]benzenesulfonic acid
CID 136981116
4-[(2,6-dichloro-4-nitrophenyl)diazenyl]benzonitrile
CID 163994512
2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate
CID 22077243
(4-nitrophenyl)-phenyldiazene
CID 17222
2,6-dibromo-4-[(4-nitrophenyl)diazenyl]phenol
CID 135612765
2-iodo-4-nitrobenzenediazonium
CID 134895733
methyl-(4-nitrophenyl)diazene
CID 20760343

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate?
The IUPAC name of 2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate (CID 53471226) is 2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate.
What is the SMILES notation for 2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate?
The canonical SMILES for 2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate is N#[N+]c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1Cl.O=S(=O)([O-])O.
What is the InChIKey of 2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate?
The InChIKey is LEAZYQHEKMLEMJ-CMBBICFISA-M. The full InChI is InChI=1S/C12H7ClN5O2.H2O4S/c13-11-7-9(3-6-12(11)15-14)17-16-8-1-4-10(5-2-8)18(19)20;1-5(2,3)4/h1-7H;(H2,1,2,3,4)/q+1;/p-1/b17-16+;.
What are the key properties of 2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate?
2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate has a molecular weight of 385.75 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate is sourced from PubChem (CID 53471226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).