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Home > Boronic Acids > 145238-45-5
145238-45-5 | 1H,3H-Pyrrolo[1,2-c][1,3,2]oxazaborole, tetrahydro-1,3,3-triphenyl-, (3aR)-
CAS No: 145238-45-5 Catalog No: AG001KPR MDL No:MFCD10566370
Product Description
Catalog Number:
AG001KPR
Chemical Name:
1H,3H-Pyrrolo[1,2-c][1,3,2]oxazaborole, tetrahydro-1,3,3-triphenyl-, (3aR)-
CAS Number:
145238-45-5
Molecular Formula:
C23H22BNO
Molecular Weight:
339.2379
MDL Number:
MFCD10566370
IUPAC Name:
(3aR)-1,3,3-triphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole
InChI:
InChI=1S/C23H22BNO/c1-4-11-19(12-5-1)23(20-13-6-2-7-14-20)22-17-10-18-25(22)24(26-23)21-15-8-3-9-16-21/h1-9,11-16,22H,10,17-18H2/t22-/m1/s1
InChI Key:
GXAMQZFEKIDKAP-JOCHJYFZSA-N
SMILES:
c1ccc(cc1)B1OC([C@@H]2N1CCC2)(c1ccccc1)c1ccccc1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
339.179g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.245g/mol
Monoisotopic Mass:
339.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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