[4-(1,3-Benzoxazol-2-yl)-2-bromophenyl]acetonitrile

HCID 10236618
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Basic information

Standard SMILES
N#CCc1ccc(-c2nc3ccccc3o2)cc1Br
InChIKey
KAGVBCNPIKJXIB-UHFFFAOYSA-N
Molecular formula
C15H9BrN2O
Average molar mass
313.15 g/mol

Names & identifiers

Preferred name
[4-(1,3-Benzoxazol-2-yl)-2-bromophenyl]acetonitrile
IUPAC
2-[4-(1,3-benzoxazol-2-yl)-2-bromophenyl]acetonitrile

Names & synonyms

SCHEMBL5832027KAGVBCNPIKJXIB-UHFFFAOYSA-N[4-(1,3-benzoxazol-2-yl)-2-bromophenyl]acetonitrile

Database identifiers

PubChem CID
10236618

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
49.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
19

Related reactions

4 records
New reaction record

Linked notes

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