4-Azidomethyl-3-methoxy-benzoic acid methyl ester

HCID 57445596

Notes Reactions

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Basic information

CAS: 721939-62-4
Standard SMILES: COC(=O)c1ccc(CN=[N+]=[N-])c(OC)c1
InChIKey: TXWZNEPFUMOXPP-UHFFFAOYSA-N
Molecular formula: C10H11N3O3
Average molar mass: 221.21 g/mol
Monoisotopic mass: 221.08004122

Names & identifiers

Preferred name: 4-Azidomethyl-3-methoxy-benzoic acid methyl ester
IUPAC: methyl 4-(azidomethyl)-3-methoxybenzoate

Names & synonyms

4-azidomethyl-3-methoxy-benzoic acid methyl esterSCHEMBL14845579TXWZNEPFUMOXPP-UHFFFAOYSA-NDTXSID101274502721939-62-4methyl 4-(azidomethyl)-3-methoxybenzoate4-(azidomethyl)-3-methoxybenzoic acid methyl ester

Database identifiers

CAS: 721939-62-4
PubChem CID: 57445596
DTXSID: DTXSID101274502

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 49.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 289

Related reactions

5 records

New reaction record

HRID 682368As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1125467As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1434484As productuspto-grants-2009_11

HRID 2264094As productuspto-grants-2010_12

HRID 2355274As reactantuspto-grants-2010_07

Compound notes

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