Basic information
- Standard SMILES
CC(C)COc1ccc(B(O)O)cc1C#N- InChIKey
ZRLYHURWZGCNKP-UHFFFAOYSA-N- Molecular formula
- C11H14BNO3
- Average molar mass
- 219.05 g/mol
Names & identifiers
- Preferred name
- (3-Cyano-4-isobutoxyphenyl)boronic acid
- IUPAC
- [3-cyano-4-(2-methylpropoxy)phenyl]boronic acid
Names & synonyms
876918-32-0(3-cyano-4-isobutoxyphenyl)boronic acid[3-cyano-4-(2-methylpropoxy)phenyl]boronic acidMFCD263874753-Cyano-4-isobutoxyphenylboronic AcidBoronic acid, B-[3-cyano-4-(2-methylpropoxy)phenyl]-Boronic acid, [3-cyano-4-(2-methylpropoxy)phenyl]-SCHEMBL1331417ZRLYHURWZGCNKP-UHFFFAOYSA-NAKOS037646400(3-cyano-4-isobutoxy-phenyl)boronic acidAS-68592
Show more names
SY280564DB-335998CS-0457713W19525Boronicacid,B-[3-cyano-4-(2-methylpropoxy)phenyl]-
Database identifiers
- PubChem CID
- 54576546
Properties
Computed structural properties
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Related reactions
10 records
Compound notes
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