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Home > Boronic Acids > 827300-02-7
827300-02-7 | 1,4-Benzenedicarboxylic acid, bis(3-boronophenyl) ester
CAS No: 827300-02-7 Catalog No: AG0050SY MDL No:
Product Description
Catalog Number:
AG0050SY
Chemical Name:
1,4-Benzenedicarboxylic acid, bis(3-boronophenyl) ester
CAS Number:
827300-02-7
Molecular Formula:
C20H16B2O8
Molecular Weight:
405.9582
IUPAC Name:
[3-[4-(3-boronophenoxy)carbonylbenzoyl]oxyphenyl]boronic acid
InChI:
InChI=1S/C20H16B2O8/c23-19(29-17-5-1-3-15(11-17)21(25)26)13-7-9-14(10-8-13)20(24)30-18-6-2-4-16(12-18)22(27)28/h1-12,25-28H
InChI Key:
LUWXIMBUAOYZPS-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)Oc1cccc(c1)B(O)O)Oc1cccc(c1)B(O)O
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.103g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
405.96g/mol
Monoisotopic Mass:
406.103g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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