1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium

C8H6ClN2O3+ — CID 21183684

IUPAC1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium
SMILESN#[N+]C(C(=O)O)c1ccc(Cl)cc1O
InChIInChI=1S/C8H5ClN2O3/c9-4-1-2-5(6(12)3-4)7(11-10)8(13)14/h1-3,7H,(H-,12,13,14)/p+1
InChIKeyXXZOYWPHUNSWNQ-UHFFFAOYSA-O
MW213.60 g/mol
LogP2.02
Rot. Bonds2

About 1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium

1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium (PubChem CID 21183684) has the molecular formula C8H6ClN2O3+ and a molecular weight of 213.60 g/mol. Its IUPAC name is 1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium.

Molecular Properties

Compound Name1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium
PubChem CID21183684
Molecular FormulaC8H6ClN2O3+
Molecular Weight213.60 g/mol
Exact Mass213.01
IUPAC Name1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium
SMILESN#[N+]C(C(=O)O)c1ccc(Cl)cc1O
InChIInChI=1S/C8H5ClN2O3/c9-4-1-2-5(6(12)3-4)7(11-10)8(13)14/h1-3,7H,(H-,12,13,14)/p+1
InChIKeyXXZOYWPHUNSWNQ-UHFFFAOYSA-O
XLogP2.02
TPSA85.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.60
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid
CID 66510595
1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium
CID 86617424
1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one
CID 130780288
5-chloro-2-(1-hydroxy-2-methylpropyl)phenol
CID 13333883
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
5-chloro-2-(1,2-diaminoethyl)phenol
CID 55273354
3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid
CID 131365879
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid
CID 119022800
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
2-(2,3-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 118826485
2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid
CID 53405228

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium?
The IUPAC name of 1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium (CID 21183684) is 1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium.
What is the SMILES notation for 1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium?
The canonical SMILES for 1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium is N#[N+]C(C(=O)O)c1ccc(Cl)cc1O.
What is the InChIKey of 1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium?
The InChIKey is XXZOYWPHUNSWNQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H5ClN2O3/c9-4-1-2-5(6(12)3-4)7(11-10)8(13)14/h1-3,7H,(H-,12,13,14)/p+1.
What are the key properties of 1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium?
1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium has a molecular weight of 213.60 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium is sourced from PubChem (CID 21183684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).