2-[4-(Bromomethyl)-3-methoxyphenyl]-1,3-benzoxazole

HCID 21990991
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Basic information

Standard SMILES
COc1cc(-c2nc3ccccc3o2)ccc1CBr
InChIKey
VQRIVQFHSMLWTA-UHFFFAOYSA-N
Molecular formula
C15H12BrNO2
Average molar mass
318.16 g/mol
Monoisotopic mass
317.00514

Names & identifiers

Preferred name
2-[4-(Bromomethyl)-3-methoxyphenyl]-1,3-benzoxazole
IUPAC
2-[4-(bromomethyl)-3-methoxyphenyl]-1,3-benzoxazole

Names & synonyms

SCHEMBL5832760VQRIVQFHSMLWTA-UHFFFAOYSA-NSY4960852-[4-(Bromomethyl)-3-methoxyphenyl]benzo[d]oxazole2-[4-(bromomethyl)-3-methoxyphenyl]-1,3-benzoxazole540497-05-0

Database identifiers

PubChem CID
21990991

Properties

Computed structural properties

XLogP
4
Topological polar surface area
35.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
19

Related reactions

22 records
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Linked notes

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