Name: Name:Benzoic acid, 2-(acetylaMino)-5-fluoro-4-nitro-
Brand: Angene
SKU: AG00BLIK
Rating: 90 (10 reviews)

Benzoic acid, 2-(acetylaMino)-5-fluoro-4-nitro-

CAS No.:

273401-28-8

Catalog Number:

AG00BLIK

Molecular Formula:

C9H7FN2O5

Molecular Weight:

242.1607

Catalog Number:

AG00BLIK

Chemical Name:

Benzoic acid, 2-(acetylaMino)-5-fluoro-4-nitro-

CAS Number:

273401-28-8

Molecular Formula:

C9H7FN2O5

Molecular Weight:

242.1607

MDL Number:

MFCD24038776

IUPAC Name:

2-acetamido-5-fluoro-4-nitrobenzoic acid

InChI:

InChI=1S/C9H7FN2O5/c1-4(13)11-7-3-8(12(16)17)6(10)2-5(7)9(14)15/h2-3H,1H3,(H,11,13)(H,14,15)

InChI Key:

CNLJIEQUDKSTHL-UHFFFAOYSA-N

SMILES:

CC(=O)Nc1cc([N+](=O)[O-])c(cc1C(=O)O)F

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.162g/mol

Monoisotopic Mass:

242.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

112A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5