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Home > Boronic Acids > 957060-87-6
957060-87-6 | ((Carbonylbis(azanediyl););bis(3,1-phenylene););diboronic acid
CAS No: 957060-87-6 Catalog No: AG00H841 MDL No:MFCD09027259
Product Description
Catalog Number:
AG00H841
Chemical Name:
((Carbonylbis(azanediyl););bis(3,1-phenylene););diboronic acid
CAS Number:
957060-87-6
Molecular Formula:
C13H14B2N2O5
Molecular Weight:
299.8827
MDL Number:
MFCD09027259
IUPAC Name:
[3-[(3-boronophenyl)carbamoylamino]phenyl]boronic acid
InChI:
InChI=1S/C13H14B2N2O5/c18-13(16-11-5-1-3-9(7-11)14(19)20)17-12-6-2-4-10(8-12)15(21)22/h1-8,19-22H,(H2,16,17,18)
InChI Key:
UQUQNYFFKZOTSS-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)B(O)O)Nc1cccc(c1)B(O)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
299.884g/mol
Monoisotopic Mass:
300.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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