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Home > Boronic Acids > 1101866-02-7
1101866-02-7 | 4-(3-Formylphenyl)phenylboronic acid
CAS No: 1101866-02-7 Catalog No: AG00HBOV MDL No:MFCD08701745
Product Description
Catalog Number:
AG00HBOV
Chemical Name:
4-(3-Formylphenyl)phenylboronic acid
CAS Number:
1101866-02-7
Molecular Formula:
C13H11BO3
Molecular Weight:
226.0356
MDL Number:
MFCD08701745
IUPAC Name:
[4-(3-formylphenyl)phenyl]boronic acid
InChI:
InChI=1S/C13H11BO3/c15-9-10-2-1-3-12(8-10)11-4-6-13(7-5-11)14(16)17/h1-9,16-17H
InChI Key:
POFFFXSVUBIUPB-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1ccc(cc1)B(O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.038g/mol
Monoisotopic Mass:
226.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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