Quinolin-2-ylphosphonic acid

HCID 349239

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Basic information

CAS: 14646-14-1
Standard SMILES: O=P(O)(O)c1ccc2ccccc2n1
InChIKey: SEYSHJHUAAIPDL-UHFFFAOYSA-N
Molecular formula: C9H8NO3P
Average molar mass: 209.14 g/mol
Monoisotopic mass: 209.02418011

Names & identifiers

Preferred name: Quinolin-2-ylphosphonic acid
IUPAC: quinolin-2-ylphosphonic acid

Names & synonyms

quinolin-2-ylphosphonic acid14646-14-1DTXSID40325143RefChem:378445DTXCID202762602-Quinolinylphosphonic acidNSC408857SCHEMBL5484638SCHEMBL31552901NSC-408857

Database identifiers

CAS: 14646-14-1
PubChem CID: 349239
DTXSID: DTXSID40325143
Nikkaji: J3.686.349H

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 70.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 252

Related reactions

1 records

New reaction record

HRID 816287As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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