Name: Name:2-methyl-3-nitro-5-sulfamoylbenzoic acid
Brand: Angene
SKU: AG01AJAZ
Rating: 90 (10 reviews)

2-methyl-3-nitro-5-sulfamoylbenzoic acid

CAS No.:

1315365-23-1

Catalog Number:

AG01AJAZ

Molecular Formula:

C8H8N2O6S

Molecular Weight:

260.2239

Catalog Number:

AG01AJAZ

Chemical Name:

2-methyl-3-nitro-5-sulfamoylbenzoic acid

CAS Number:

1315365-23-1

Molecular Formula:

C8H8N2O6S

Molecular Weight:

260.2239

MDL Number:

MFCD18627297

IUPAC Name:

2-methyl-3-nitro-5-sulfamoylbenzoic acid

InChI:

InChI=1S/C8H8N2O6S/c1-4-6(8(11)12)2-5(17(9,15)16)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)(H2,9,15,16)

InChI Key:

IBHZUXQNTMJESS-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(cc(c1C)[N+](=O)[O-])S(=O)(=O)N

Complexity:

422

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.22g/mol

Monoisotopic Mass:

260.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

152A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2