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Home > Boronic Acids > 178455-03-3
178455-03-3 | (R)-BoroPhe-(+)-Pinanediol-HCl
CAS No: 178455-03-3 Catalog No: AG00AC4F MDL No:MFCD16294354
Product Description
Catalog Number:
AG00AC4F
Chemical Name:
(R)-BoroPhe-(+)-Pinanediol-HCl
CAS Number:
178455-03-3
Molecular Formula:
C18H27BClNO2
Molecular Weight:
335.6765
MDL Number:
MFCD16294354
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;hydrochloride
InChI:
InChI=1S/C18H26BNO2.ClH/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;1H/t13-,14-,15+,16-,18-;/m0./s1
InChI Key:
CXRPMGWYFYLFMY-SKAYQWHWSA-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:
2
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
335.182g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.679g/mol
Monoisotopic Mass:
335.182g/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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