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Home > Boronic Acids > 149716-73-4
149716-73-4 | Pyrrolidine, 2-[(3aR,4R,6R,7aS)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-, hydrochloride (1:1), (2S)-
CAS No: 149716-73-4 Catalog No: AG001LYA MDL No:MFCD11558912
Product Description
Catalog Number:
AG001LYA
Chemical Name:
Pyrrolidine, 2-[(3aR,4R,6R,7aS)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-, hydrochloride (1:1), (2S)-
CAS Number:
149716-73-4
Molecular Formula:
C14H25BClNO2
Molecular Weight:
285.6178
MDL Number:
MFCD11558912
IUPAC Name:
(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidine;hydrochloride
InChI:
InChI=1S/C14H24BNO2.ClH/c1-13(2)9-7-10(13)14(3)11(8-9)17-15(18-14)12-5-4-6-16-12;/h9-12,16H,4-8H2,1-3H3;1H/t9-,10-,11+,12-,14-;/m1./s1
InChI Key:
OVVMNBVQOPZMPY-NTEAFONJSA-N
SMILES:
C[C@@]12OB(O[C@@H]1C[C@H]1C[C@@H]2C1(C)C)[C@H]1CCCN1.Cl
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
285.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.619g/mol
Monoisotopic Mass:
285.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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