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PubChem CID: 74764070
Molecular Formula: C20H27BF3NO4
Molecular Weight: 413.2 g/mol
IUPAC Name: 2-phenyl-1-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0 2,6 ]decan-4-yl)ethanamine;2,2,2-trifluoroacetic acid
InChI: InChI=1S/C18H26BNO2.C2HF3O2/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;3-2(4,5)1(6)7/h4-8,13-16H,9-11,20H2,1-3H3;(H,6,7)
InChIKey: YJRYQGLPPMUWRO-UHFFFAOYSA-N
Canonical SMILES: B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CC4=CC=CC=C4)N.C(=O)(C(F)(F)F)O
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 8
Topological Polar Surface Area: 81.8Ų
913373-41-8
497165-13-6
497165-15-8
515140-26-8
1218790-95-4
536693-95-5
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