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Home > Boronic Acids > 112022-81-8
112022-81-8 | (S)-Tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole
CAS No: 112022-81-8 Catalog No: AG00327O MDL No:MFCD00078439
Product Description
Catalog Number:
AG00327O
Chemical Name:
(S)-Tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole
CAS Number:
112022-81-8
Molecular Formula:
C18H20BNO
Molecular Weight:
277.1685
MDL Number:
MFCD00078439
IUPAC Name:
(3aS)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole
InChI:
InChI=1S/C18H20BNO/c1-19-20-14-8-13-17(20)18(21-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m0/s1
InChI Key:
VMKAFJQFKBASMU-KRWDZBQOSA-N
SMILES:
CB1OC([C@H]2N1CCC2)(c1ccccc1)c1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
277.164g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.174g/mol
Monoisotopic Mass:
277.164g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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