Name: Name:N-(2H-1,3-benzodioxol-5-yl)-2,2,2-trichloroacetamide
Brand: Angene
SKU: AG019N2T
Rating: 90 (10 reviews)

N-(2H-1,3-benzodioxol-5-yl)-2,2,2-trichloroacetamide

CAS No.:

549543-76-2

Catalog Number:

AG019N2T

Molecular Formula:

C9H6Cl3NO3

Molecular Weight:

282.5078

Catalog Number:

AG019N2T

Chemical Name:

N-(2H-1,3-benzodioxol-5-yl)-2,2,2-trichloroacetamide

CAS Number:

549543-76-2

Molecular Formula:

C9H6Cl3NO3

Molecular Weight:

282.5078

MDL Number:

MFCD01346393

IUPAC Name:

N-(1,3-benzodioxol-5-yl)-2,2,2-trichloroacetamide

InChI:

InChI=1S/C9H6Cl3NO3/c10-9(11,12)8(14)13-5-1-2-6-7(3-5)16-4-15-6/h1-3H,4H2,(H,13,14)

InChI Key:

GAULYCGLVIRDHI-UHFFFAOYSA-N

SMILES:

O=C(C(Cl)(Cl)Cl)Nc1ccc2c(c1)OCO2

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.941g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.501g/mol

Monoisotopic Mass:

280.941g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6