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(R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate

Catalog Number
ACM862095770
Product Name
(R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate
Structure
(R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate
CAS
862095-77-0
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Synonyms
862095-77-0;(R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate;DTXSID90457120;MolPort-035-785-440;MFCD23380201;B3592;
IUPAC Name
(5R)-5-benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium;tetrafluoroborate;
Molecular Weight
431.165g/mol
Molecular Formula
C19H17BF7N3;
SMILES
[B-](F)(F)(F)F.C1CC2=NN(C=[N+]2C1CC3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F;
InChI
InChI=1S/C19H17F3N3.BF4/c20-19(21,22)15-6-8-16(9-7-15)25-13-24-17(10-11-18(24)23-25)12-14-4-2-1-3-5-14;2-1(3,4)5/h1-9,13,17H,10-12H2;/q+1;-1/t17-;/m1./s1;
InChI Key
UDDOGJQUYCEOBY-UNTBIKODSA-N;
Complexity
461
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
1
Exact Mass
431.14g/mol
H-Bond Acceptor
9
Heavy Atom Count
30
Monoisotopic Mass
431.14g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
21.7A^2
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