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Home > Boronic Acids > 480996-05-2
480996-05-2 | 4'-BROMO-4-BIPHENYLBORONIC ACID
CAS No: 480996-05-2 Catalog No: AG00D8VK MDL No:MFCD02251652
Product Description
Catalog Number:
AG00D8VK
Chemical Name:
4'-BROMO-4-BIPHENYLBORONIC ACID
CAS Number:
480996-05-2
Molecular Formula:
C12H10BBrO2
Molecular Weight:
276.9216
MDL Number:
MFCD02251652
IUPAC Name:
[4-(4-bromophenyl)phenyl]boronic acid
InChI:
InChI=1S/C12H10BBrO2/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,15-16H
InChI Key:
HQAGDFJHKPSZHT-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1ccc(cc1)B(O)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.996g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.924g/mol
Monoisotopic Mass:
275.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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