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Home > Boronic Acids > 174004-13-8
174004-13-8 | 1H,3H-Pyrrolo[1,2-c][1,3,2]oxazaborole, tetrahydro-3,3-diphenyl-1-[(trimethylsilyl)methyl]-, (3aS)-
CAS No: 174004-13-8 Catalog No: AG001ZDP MDL No:
Product Description
Catalog Number:
AG001ZDP
Chemical Name:
1H,3H-Pyrrolo[1,2-c][1,3,2]oxazaborole, tetrahydro-3,3-diphenyl-1-[(trimethylsilyl)methyl]-, (3aS)-
CAS Number:
174004-13-8
Molecular Formula:
C21H28BNOSi
Molecular Weight:
349.3496
IUPAC Name:
[(3aS)-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborol-1-yl]methyl-trimethylsilane
InChI:
InChI=1S/C21H28BNOSi/c1-25(2,3)17-22-23-16-10-15-20(23)21(24-22,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20H,10,15-17H2,1-3H3/t20-/m0/s1
InChI Key:
OBWYSZFYGYDSLB-FQEVSTJZSA-N
SMILES:
C[Si](CB1OC([C@H]2N1CCC2)(c1ccccc1)c1ccccc1)(C)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
349.203g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.356g/mol
Monoisotopic Mass:
349.203g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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