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872495-53-9 | Borinic acid, bis[3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl]-
CAS No: 872495-53-9 Catalog No: AG008EU4 MDL No:
Product Description
Catalog Number:
AG008EU4
Chemical Name:
Borinic acid, bis[3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl]-
CAS Number:
872495-53-9
Molecular Formula:
C22H25BN2O3
Molecular Weight:
376.2565
IUPAC Name:
bis[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]borinic acid
InChI:
InChI=1S/C22H25BN2O3/c1-21(2)13-27-19(24-21)15-7-5-9-17(11-15)23(26)18-10-6-8-16(12-18)20-25-22(3,4)14-28-20/h5-12,26H,13-14H2,1-4H3
InChI Key:
MMMPBUSVEYXTQL-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)C1=NC(CO1)(C)C)c1cccc(c1)C1=NC(CO1)(C)C
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.196g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.263g/mol
Monoisotopic Mass:
376.196g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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