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Home > Boronic Acids > 476334-31-3
476334-31-3 | (R)-BoroPhg(+)-Pinanediol-HCl
CAS No: 476334-31-3 Catalog No: AG00DBSO MDL No:MFCD16038255
Product Description
Catalog Number:
AG00DBSO
Chemical Name:
(R)-BoroPhg(+)-Pinanediol-HCl
CAS Number:
476334-31-3
Molecular Formula:
C17H25BClNO2
Molecular Weight:
321.6499
MDL Number:
MFCD16038255
IUPAC Name:
(R)-phenyl-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methanamine;hydrochloride
InChI:
InChI=1S/C17H24BNO2.ClH/c1-16(2)12-9-13(16)17(3)14(10-12)20-18(21-17)15(19)11-7-5-4-6-8-11;/h4-8,12-15H,9-10,19H2,1-3H3;1H/t12-,13-,14+,15-,17-;/m0./s1
InChI Key:
CVNPYXUVJGYRKY-OKFNBVSFSA-N
SMILES:
N[C@@H](c1ccccc1)B1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C.Cl
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
321.167g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.652g/mol
Monoisotopic Mass:
321.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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