Name: Name:4-[2-(4-Amino-3-nitrophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-nitroaniline
Brand: Angene
SKU: AG01F41N
Rating: 90 (10 reviews)

4-[2-(4-Amino-3-nitrophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-nitroaniline

CAS No.:

1174-51-2

Catalog Number:

AG01F41N

Molecular Formula:

C15H10F6N4O4

Molecular Weight:

424.2547

Catalog Number:

AG01F41N

Chemical Name:

4-[2-(4-Amino-3-nitrophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-nitroaniline

CAS Number:

1174-51-2

Molecular Formula:

C15H10F6N4O4

Molecular Weight:

424.2547

MDL Number:

MFCD00344824

IUPAC Name:

4-[2-(4-amino-3-nitrophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-nitroaniline

InChI:

InChI=1S/C15H10F6N4O4/c16-14(17,18)13(15(19,20)21,7-1-3-9(22)11(5-7)24(26)27)8-2-4-10(23)12(6-8)25(28)29/h1-6H,22-23H2

InChI Key:

KPPDNXBRICFWLV-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc(ccc1N)C(C(F)(F)F)(C(F)(F)F)c1ccc(c(c1)[N+](=O)[O-])N

Complexity:

578

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

424.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

424.259g/mol

Monoisotopic Mass:

424.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

144A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.3