Methyl 4-((3-bromopyridin-2-yl)methoxy)benzoate

HCID 68725036CAS 1126370-02-2
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Basic information

Standard SMILES
COC(=O)c1ccc(OCc2ncccc2Br)cc1
InChIKey
ATOOPJMARKBGGU-UHFFFAOYSA-N
Molecular formula
C14H12BrNO3
Average molar mass
322.15 g/mol
Monoisotopic mass
321.00005534

Names & identifiers

Preferred name
Methyl 4-((3-bromopyridin-2-yl)methoxy)benzoate
IUPAC
methyl 4-[(3-bromo-2-pyridinyl)methoxy]benzoate

Names & synonyms

methyl 4-((3-bromopyridin-2-yl)methoxy)benzoate1126370-02-2methyl 4-[(3-bromopyridin-2-yl)methoxy]benzoateSCHEMBL3642336ATOOPJMARKBGGU-UHFFFAOYSA-NDTXSID001181126DB-125182Benzoic acid, 4-[(3-bromo-2-pyridinyl)methoxy]-, methyl ester

Database identifiers

CAS
1126370-02-2
PubChem CID
68725036
DTXSID
DTXSID001181126

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
48.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
19

Related reactions

1 records
New reaction record

Linked notes

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