4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate

C13H7BCl2F4N2O — CID 175554622

IUPAC4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C13H7Cl2N2O.BF4/c14-8-5-6-12(17-16)10(7-8)13(18)9-3-1-2-4-11(9)15;2-1(3,4)5/h1-7H;/q+1;-1
InChIKeyLPDDBCANIAENQL-UHFFFAOYSA-N
MW364.92 g/mol
LogP6.01
Rot. Bonds2

About 4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate

4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate (PubChem CID 175554622) has the molecular formula C13H7BCl2F4N2O and a molecular weight of 364.92 g/mol. Its IUPAC name is 4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate
PubChem CID175554622
Molecular FormulaC13H7BCl2F4N2O
Molecular Weight364.92 g/mol
Exact Mass364.00
IUPAC Name4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C13H7Cl2N2O.BF4/c14-8-5-6-12(17-16)10(7-8)13(18)9-3-1-2-4-11(9)15;2-1(3,4)5/h1-7H;/q+1;-1
InChIKeyLPDDBCANIAENQL-UHFFFAOYSA-N
XLogP6.01
TPSA45.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
(2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone
CID 139700416
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
(5-chloro-2-isocyanatophenyl)-(2-chlorophenyl)methanone
CID 169352086
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
2-bromo-5-chlorobenzenediazonium tetrafluoroborate
CID 82973544
2,4-dichloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]benzamide
CID 4029873
(2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone
CID 79214960
2,4-dichlorobenzenediazonium hexafluorophosphate
CID 18471224
(2-chlorophenyl)-(2-fluoro-4-methylphenyl)methanone
CID 114963346

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate?
The IUPAC name of 4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate (CID 175554622) is 4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate.
What is the SMILES notation for 4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate?
The canonical SMILES for 4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1ccc(Cl)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of 4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate?
The InChIKey is LPDDBCANIAENQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N2O.BF4/c14-8-5-6-12(17-16)10(7-8)13(18)9-3-1-2-4-11(9)15;2-1(3,4)5/h1-7H;/q+1;-1.
What are the key properties of 4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate?
4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate has a molecular weight of 364.92 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate is sourced from PubChem (CID 175554622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).