Methyl 3-(3-aminophenoxy)benzoate

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Basic information

CAS: 183270-47-5
Standard SMILES: COC(=O)c1cccc(Oc2cccc(N)c2)c1
InChIKey: KMNZDPFPFDVSKG-UHFFFAOYSA-N
Molecular formula: C14H13NO3
Average molar mass: 243.26 g/mol
Monoisotopic mass: 243.08954328

Names & identifiers

Preferred name: Methyl 3-(3-aminophenoxy)benzoate
IUPAC: methyl 3-(3-aminophenoxy)benzoate

Names & synonyms

methyl 3-(3-aminophenoxy)benzoate183270-47-5Benzoic acid, 3-(3-aminophenoxy)-, methyl esterSCHEMBL8367495DTXSID30599371KMNZDPFPFDVSKG-UHFFFAOYSA-NMFCD16620324DA-089913-[(3-carbomethoxyphenyl)oxy]-aminobenzeneF78373

Database identifiers

CAS: 183270-47-5
PubChem CID: 19707463
DTXSID: DTXSID30599371

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 61.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 282

Related reactions

3 records

New reaction record

HRID 195603As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 726916As productuspto-grants-1998_01

HRID 1780821As productuspto-grants-1997_05

Compound notes

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