N-anilinooxyarsonoyloxyaniline

C12H13AsN2O3 — CID 174957008

IUPACN-anilinooxyarsonoyloxyaniline
SMILESO=[AsH](ONc1ccccc1)ONc1ccccc1
InChIInChI=1S/C12H13AsN2O3/c16-13(17-14-11-7-3-1-4-8-11)18-15-12-9-5-2-6-10-12/h1-10,13-15H
InChIKeyOTBXEAZXWPAOLW-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.22
Rot. Bonds6

About N-anilinooxyarsonoyloxyaniline

N-anilinooxyarsonoyloxyaniline (PubChem CID 174957008) has the molecular formula C12H13AsN2O3 and a molecular weight of 308.17 g/mol. Its IUPAC name is N-anilinooxyarsonoyloxyaniline.

Molecular Properties

Compound NameN-anilinooxyarsonoyloxyaniline
PubChem CID174957008
Molecular FormulaC12H13AsN2O3
Molecular Weight308.17 g/mol
Exact Mass308.01
IUPAC NameN-anilinooxyarsonoyloxyaniline
SMILESO=[AsH](ONc1ccccc1)ONc1ccccc1
InChIInChI=1S/C12H13AsN2O3/c16-13(17-14-11-7-3-1-4-8-11)18-15-12-9-5-2-6-10-12/h1-10,13-15H
InChIKeyOTBXEAZXWPAOLW-UHFFFAOYSA-N
XLogP2.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

isocyanic acid;N-methoxyaniline
CID 172774828
benzene;N-methoxyaniline
CID 159505017
N-sulfanyloxyaniline
CID 141339499
CID 59264345
CID 59264345
acetic acid;N-methoxyaniline
CID 174899473
anilino formate;ethane
CID 158049323
anilino cyanate
CID 57256741
N-[4-(4-anilinooxyphenyl)phenoxy]aniline
CID 172689227
4-N-methoxy-1-N-phenylbenzene-1,4-diamine
CID 23137119
N-(2-fluoroethenoxy)aniline
CID 88519173
methyl 2-anilinooxyacetate
CID 154072974
4-anilinooxycarbonylbenzoic acid
CID 154089254

Frequently Asked Questions

What is the IUPAC name of N-anilinooxyarsonoyloxyaniline?
The IUPAC name of N-anilinooxyarsonoyloxyaniline (CID 174957008) is N-anilinooxyarsonoyloxyaniline.
What is the SMILES notation for N-anilinooxyarsonoyloxyaniline?
The canonical SMILES for N-anilinooxyarsonoyloxyaniline is O=[AsH](ONc1ccccc1)ONc1ccccc1.
What is the InChIKey of N-anilinooxyarsonoyloxyaniline?
The InChIKey is OTBXEAZXWPAOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13AsN2O3/c16-13(17-14-11-7-3-1-4-8-11)18-15-12-9-5-2-6-10-12/h1-10,13-15H.
What are the key properties of N-anilinooxyarsonoyloxyaniline?
N-anilinooxyarsonoyloxyaniline has a molecular weight of 308.17 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-anilinooxyarsonoyloxyaniline is sourced from PubChem (CID 174957008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).