4-Methylphenyl dihydrogen borate

HCID 19035350

Notes Reactions

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Basic information

CAS: 274251-50-2
Standard SMILES: Cc1ccc(OB(O)O)cc1
InChIKey: DQVXWCCLFKMJTQ-UHFFFAOYSA-N
Molecular formula: C7H9BO3
Average molar mass: 151.96 g/mol
Monoisotopic mass: 152.06447455

Names & identifiers

Preferred name: 4-Methylphenyl dihydrogen borate
IUPAC: (4-methylphenoxy)boronic acid

Names & synonyms

4-Methylphenyl dihydrogen borate274251-50-2DTXSID10597597RefChem:294650DTXCID605483574-tolylboric acid4-methylphenyl boric acid4-methyl-phenyl-boric acidSCHEMBL350471DQVXWCCLFKMJTQ-UHFFFAOYSA-N

Database identifiers

CAS: 274251-50-2
PubChem CID: 19035350
DTXSID: DTXSID10597597

Properties

Computed structural properties

Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 110

Related reactions

10 records

New reaction record

HRID 86540As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 186221As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 566153As productuspto-grants-2001_01

HRID 566155As productuspto-grants-2001_01

HRID 1050660As reactantuspto-grants-2016_07

HRID 1169355As reactantuspto-grants-2003_09

HRID 1169366As reactantuspto-grants-2003_09

HRID 1289072As reactantuspto-grants-1998_05

Compound notes

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