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Home > Boronic Acids > 186906-12-7
186906-12-7 | (R)-BoroPhe-(+)-Pinanediol
CAS No: 186906-12-7 Catalog No: AG00AQ5A MDL No:MFCD16038240
Product Description
Catalog Number:
AG00AQ5A
Chemical Name:
(R)-BoroPhe-(+)-Pinanediol
CAS Number:
186906-12-7
Molecular Formula:
C18H27BClNO2
Molecular Weight:
335.6765
MDL Number:
MFCD16038240
IUPAC Name:
(1R)-2-phenyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethanamine
InChI:
InChI=1S/C18H26BNO2/c1-17(2)13-10-14(17)18(3)15(11-13)21-19(22-18)16(20)9-12-7-5-4-6-8-12/h4-8,13-16H,9-11,20H2,1-3H3/t13-,14-,15+,16-,18-/m0/s1
InChI Key:
VBPSRSJQIVBEOE-RPUYLAQPSA-N
SMILES:
N[C@H](B1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C)Cc1ccccc1.Cl
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
299.206g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.221g/mol
Monoisotopic Mass:
299.206g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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