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862893-80-9

862893-80-9 |

CAS No: 862893-80-9 Catalog No: AG01FP1N MDL No:

Product Description

Catalog Number:
AG01FP1N
CAS Number:
862893-80-9
IUPAC Name:
2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium;tetrafluoroborate
InChI:
InChI=1S/C14H18N3.BF4/c1-10-7-11(2)14(12(3)8-10)17-9-16-6-4-5-13(16)15-17;2-1(3,4)5/h7-9H,4-6H2,1-3H3;/q+1;-1
InChI Key:
RYBKLXMAEITDQU-UHFFFAOYSA-N

Properties

Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.153g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.123g/mol
Monoisotopic Mass:
315.153g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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