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Home > Nitro Compounds > 1315365-23-1
1315365-23-1 | 2-methyl-3-nitro-5-sulfamoylbenzoic acid
CAS No: 1315365-23-1 Catalog No: AG01AJAZ MDL No:MFCD18627297
Product Description
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
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.01g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.22g/mol
Monoisotopic Mass:
260.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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