Name: Name:Diphenyl [1H-1,2,3-benzotriazol-1-yl(4-chlorophenyl)-methyl]phosphonate
Brand: Angene
SKU: AG01F4W8
Rating: 90 (10 reviews)

Diphenyl [1H-1,2,3-benzotriazol-1-yl(4-chlorophenyl)-methyl]phosphonate

CAS No.:

676562-43-9

Catalog Number:

AG01F4W8

Molecular Formula:

C25H19ClN3O3P

Molecular Weight:

475.8634

Catalog Number:

AG01F4W8

Chemical Name:

Diphenyl [1H-1,2,3-benzotriazol-1-yl(4-chlorophenyl)-methyl]phosphonate

CAS Number:

676562-43-9

Molecular Formula:

C25H19ClN3O3P

Molecular Weight:

475.8634

MDL Number:

MFCD04003896

IUPAC Name:

1-[(4-chlorophenyl)-diphenoxyphosphorylmethyl]benzotriazole

InChI:

InChI=1S/C25H19ClN3O3P/c26-20-17-15-19(16-18-20)25(29-24-14-8-7-13-23(24)27-28-29)33(30,31-21-9-3-1-4-10-21)32-22-11-5-2-6-12-22/h1-18,25H

InChI Key:

HFQVFXTWRAOGOD-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)C(P(=O)(Oc1ccccc1)Oc1ccccc1)n1nnc2c1cccc2

Complexity:

641

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

475.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

475.869g/mol

Monoisotopic Mass:

475.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.3