200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 457051-50-2
457051-50-2 | 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyridin-1-ium tetrafluoroboranuide
CAS No: 457051-50-2 Catalog No: AG01EW21 MDL No:MFCD00957449
Product Description
Catalog Number:
AG01EW21
Chemical Name:
1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyridin-1-ium tetrafluoroboranuide
CAS Number:
457051-50-2
Molecular Formula:
C12H11BF4N4
Molecular Weight:
298.0472
MDL Number:
MFCD00957449
IUPAC Name:
1-(pyridin-1-ium-1-ylmethyl)benzotriazole;tetrafluoroborate
InChI:
InChI=1S/C12H11N4.BF4/c1-4-8-15(9-5-1)10-16-12-7-3-2-6-11(12)13-14-16;2-1(3,4)5/h1-9H,10H2;/q+1;-1
InChI Key:
BINQGASDILSVKH-UHFFFAOYSA-N
SMILES:
c1cc[n+](cc1)Cn1nnc2c1cccc2.F[B-](F)(F)F
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.052g/mol
Monoisotopic Mass:
298.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
© 2019 Angene International Limited. All rights Reserved.