Name: Name:1-[2-(Acetyloxy)-2-(3-nitrophenyl)-1-phenylethyl]-2,4-diphenylpyridin-1-ium tetrafluoroboranuide
Brand: Angene
SKU: AG01EXHM
Rating: 90 (10 reviews)

1-[2-(Acetyloxy)-2-(3-nitrophenyl)-1-phenylethyl]-2,4-diphenylpyridin-1-ium tetrafluoroboranuide

CAS No.:

80561-20-2

Catalog Number:

AG01EXHM

Molecular Formula:

C33H27BF4N2O4

Molecular Weight:

602.3831

Catalog Number:

AG01EXHM

Chemical Name:

1-[2-(Acetyloxy)-2-(3-nitrophenyl)-1-phenylethyl]-2,4-diphenylpyridin-1-ium tetrafluoroboranuide

CAS Number:

80561-20-2

Molecular Formula:

C33H27BF4N2O4

Molecular Weight:

602.3831

MDL Number:

MFCD00961936

IUPAC Name:

[2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenylethyl] acetate;tetrafluoroborate

InChI:

InChI=1S/C33H27N2O4.BF4/c1-24(36)39-33(29-18-11-19-30(22-29)35(37)38)32(27-16-9-4-10-17-27)34-21-20-28(25-12-5-2-6-13-25)23-31(34)26-14-7-3-8-15-26;2-1(3,4)5/h2-23,32-33H,1H3;/q+1;-1

InChI Key:

OHKHYXJKYUAHTN-UHFFFAOYSA-N

SMILES:

F[B-](F)(F)F.CC(=O)OC(C([n+]1ccc(cc1c1ccccc1)c1ccccc1)c1ccccc1)c1cccc(c1)[N+](=O)[O-]

Complexity:

800

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

602.2g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

602.393g/mol

Monoisotopic Mass:

602.2g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: