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2-Formylphenylboronic Acid

CAT: 0572-TRC-F701493-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F701493-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40138-16-7
Synonyms
NSC 157839; o-Formylbenzeneboronic Acid; o-Formylphenylboronic Acid; B-(2-Formylphenyl)boronic Acid; 2-Boronobenzaldehyde
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OB(O)c1ccccc1C=O
Molecular Formula
C7H7BO3
Molecular Weight
149.94
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Formylphenylboronic acid

structure in first source

CAS Number40138-16-7
PubChem CID292189
IUPAC Name(2-formylphenyl)boronic acid
Molecular FormulaC7H7BO3
Molecular Weight149.94
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
B(C1=CC=CC=C1C=O)(O)O
InChI
InChI=1S/C7H7BO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5,10-11H
InChIKey
DGUWACLYDSWXRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Formylphenylboronic acid
CAS: 40138-16-7
CID: 292189
Formula: C7H7BO3
MW: 149.94
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.94
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass150.0488242
Monoisotopic Mass150.0488242
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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