Name: Name:3-nitro-4-(trifluoroacetamido)benzene-1-sulfonyl chloride
Brand: Angene
SKU: AG01AAAE
Rating: 90 (10 reviews)

3-nitro-4-(trifluoroacetamido)benzene-1-sulfonyl chloride

CAS No.:

1178647-96-5

Catalog Number:

AG01AAAE

Molecular Formula:

C8H4ClF3N2O5S

Molecular Weight:

332.6410

Catalog Number:

AG01AAAE

Chemical Name:

3-nitro-4-(trifluoroacetamido)benzene-1-sulfonyl chloride

CAS Number:

1178647-96-5

Molecular Formula:

C8H4ClF3N2O5S

Molecular Weight:

332.6410

MDL Number:

MFCD16990676

IUPAC Name:

3-nitro-4-[(2,2,2-trifluoroacetyl)amino]benzenesulfonyl chloride

InChI:

InChI=1S/C8H4ClF3N2O5S/c9-20(18,19)4-1-2-5(6(3-4)14(16)17)13-7(15)8(10,11)12/h1-3H,(H,13,15)

InChI Key:

VFVGZRTZGHMVPZ-UHFFFAOYSA-N

SMILES:

O=C(C(F)(F)F)Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Cl

Complexity:

498

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

331.948g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

332.634g/mol

Monoisotopic Mass:

331.948g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

117A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3