Name: Name:4-nitro-3-(trifluoroMethylsulfonyloxy)benzyl pivalate
Brand: Angene
SKU: AG00GTZZ
Rating: 90 (10 reviews)

4-nitro-3-(trifluoroMethylsulfonyloxy)benzyl pivalate

CAS No.:

929095-35-2

Catalog Number:

AG00GTZZ

Molecular Formula:

C13H14F3NO7S

Molecular Weight:

385.3130

Catalog Number:

AG00GTZZ

Chemical Name:

4-nitro-3-(trifluoroMethylsulfonyloxy)benzyl pivalate

CAS Number:

929095-35-2

Molecular Formula:

C13H14F3NO7S

Molecular Weight:

385.3130

MDL Number:

MFCD18642697

IUPAC Name:

[4-nitro-3-(trifluoromethylsulfonyloxy)phenyl]methyl 2,2-dimethylpropanoate

InChI:

InChI=1S/C13H14F3NO7S/c1-12(2,3)11(18)23-7-8-4-5-9(17(19)20)10(6-8)24-25(21,22)13(14,15)16/h4-6H,7H2,1-3H3

InChI Key:

LVWCQVFULVLKQM-UHFFFAOYSA-N

SMILES:

O=C(C(C)(C)C)OCc1ccc(c(c1)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Complexity:

601

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

385.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

385.31g/mol

Monoisotopic Mass:

385.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

124A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6