amino phenoxy hydrogen phosphite;dihydrochloride

C6H10Cl2NO4P — CID 175334218

IUPACamino phenoxy hydrogen phosphite;dihydrochloride
SMILESCl.Cl.NOP(O)OOc1ccccc1
InChIInChI=1S/C6H8NO4P.2ClH/c7-10-12(8)11-9-6-4-2-1-3-5-6;;/h1-5,8H,7H2;2*1H
InChIKeyIAKCIGLIMQWRIC-UHFFFAOYSA-N
MW262.03 g/mol
LogP1.95
Rot. Bonds4

About amino phenoxy hydrogen phosphite;dihydrochloride

amino phenoxy hydrogen phosphite;dihydrochloride (PubChem CID 175334218) has the molecular formula C6H10Cl2NO4P and a molecular weight of 262.03 g/mol. Its IUPAC name is amino phenoxy hydrogen phosphite;dihydrochloride.

Molecular Properties

Compound Nameamino phenoxy hydrogen phosphite;dihydrochloride
PubChem CID175334218
Molecular FormulaC6H10Cl2NO4P
Molecular Weight262.03 g/mol
Exact Mass260.97
IUPAC Nameamino phenoxy hydrogen phosphite;dihydrochloride
SMILESCl.Cl.NOP(O)OOc1ccccc1
InChIInChI=1S/C6H8NO4P.2ClH/c7-10-12(8)11-9-6-4-2-1-3-5-6;;/h1-5,8H,7H2;2*1H
InChIKeyIAKCIGLIMQWRIC-UHFFFAOYSA-N
XLogP1.95
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.03
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenoxy dihydrogen phosphite
CID 22750423
O-phenoxyhydroxylamine
CID 20645120
azane;phenylperoxybenzene
CID 174490395
potassium;hydride;phenylperoxybenzene
CID 174274599
phenoxy hypofluorite;hydrochloride
CID 161041711
phenoxy(phenyl)phosphinous acid
CID 21107296
O-phenylhydroxylamine;zinc
CID 175464016
O-phenylhydroxylamine;zirconium
CID 174144426
phenylperoxymethanamine
CID 163956445
bis(phenyl dihydrogen phosphite);sulfane
CID 174625507
diphenyl hydrogen phosphite;ethanol
CID 159674253
strontium;hydride;phenyl dihydrogen phosphite
CID 173442477

Frequently Asked Questions

What is the IUPAC name of amino phenoxy hydrogen phosphite;dihydrochloride?
The IUPAC name of amino phenoxy hydrogen phosphite;dihydrochloride (CID 175334218) is amino phenoxy hydrogen phosphite;dihydrochloride.
What is the SMILES notation for amino phenoxy hydrogen phosphite;dihydrochloride?
The canonical SMILES for amino phenoxy hydrogen phosphite;dihydrochloride is Cl.Cl.NOP(O)OOc1ccccc1.
What is the InChIKey of amino phenoxy hydrogen phosphite;dihydrochloride?
The InChIKey is IAKCIGLIMQWRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO4P.2ClH/c7-10-12(8)11-9-6-4-2-1-3-5-6;;/h1-5,8H,7H2;2*1H.
What are the key properties of amino phenoxy hydrogen phosphite;dihydrochloride?
amino phenoxy hydrogen phosphite;dihydrochloride has a molecular weight of 262.03 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino phenoxy hydrogen phosphite;dihydrochloride is sourced from PubChem (CID 175334218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).