carbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium

C9H11ClN2O — CID 160830810

IUPACcarbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium
SMILESN#[N+]c1cccc(Cl)c1CCO.[CH3-]
InChIInChI=1S/C8H8ClN2O.CH3/c9-7-2-1-3-8(11-10)6(7)4-5-12;/h1-3,12H,4-5H2;1H3/q+1;-1
InChIKeySGTUHTRDNOUTSG-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.81
Rot. Bonds2

About carbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium

carbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium (PubChem CID 160830810) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is carbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium.

Molecular Properties

Compound Namecarbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium
PubChem CID160830810
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Namecarbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium
SMILESN#[N+]c1cccc(Cl)c1CCO.[CH3-]
InChIInChI=1S/C8H8ClN2O.CH3/c9-7-2-1-3-8(11-10)6(7)4-5-12;/h1-3,12H,4-5H2;1H3/q+1;-1
InChIKeySGTUHTRDNOUTSG-UHFFFAOYSA-N
XLogP2.81
TPSA48.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol
CID 68633645
2-bromo-3-chlorobenzenediazonium
CID 103482045
2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)-N-phenylacetamide
CID 136576474
2-(2,6-dichlorophenyl)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 51985201
2-(3-bromo-2,6-dichlorophenyl)ethanol
CID 69130097
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
N'-amino-2-(2,6-dichlorophenyl)ethanimidamide
CID 76923044
2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)-N-pyridin-4-ylacetamide
CID 154783315
4-amino-1-(2,6-dichlorophenyl)pentan-3-ol
CID 83924979
2-chloro-3-fluorobenzenediazonium tetrafluoroborate
CID 87707531
[amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium
CID 3733113
2-(2-chlorophenyl)ethanol;ethane
CID 142279480

Frequently Asked Questions

What is the IUPAC name of carbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium?
The IUPAC name of carbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium (CID 160830810) is carbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium.
What is the SMILES notation for carbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium?
The canonical SMILES for carbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium is N#[N+]c1cccc(Cl)c1CCO.[CH3-].
What is the InChIKey of carbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium?
The InChIKey is SGTUHTRDNOUTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN2O.CH3/c9-7-2-1-3-8(11-10)6(7)4-5-12;/h1-3,12H,4-5H2;1H3/q+1;-1.
What are the key properties of carbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium?
carbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium has a molecular weight of 198.65 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium is sourced from PubChem (CID 160830810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).