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Home > Nitro Compounds > 1803566-28-0
1803566-28-0 | 2-(ethylsulfamoyl)-4-nitrobenzoic acid
CAS No: 1803566-28-0 Catalog No: AG01AV4B MDL No:MFCD27980730
Product Description
Catalog Number:
AG01AV4B
Chemical Name:
2-(ethylsulfamoyl)-4-nitrobenzoic acid
CAS Number:
1803566-28-0
Molecular Formula:
C9H10N2O6S
Molecular Weight:
274.2505
MDL Number:
MFCD27980730
IUPAC Name:
2-(ethylsulfamoyl)-4-nitrobenzoic acid
InChI:
InChI=1S/C9H10N2O6S/c1-2-10-18(16,17)8-5-6(11(14)15)3-4-7(8)9(12)13/h3-5,10H,2H2,1H3,(H,12,13)
InChI Key:
MNYMYPVZXNUXCR-UHFFFAOYSA-N
SMILES:
CCNS(=O)(=O)c1cc(ccc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.026g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.247g/mol
Monoisotopic Mass:
274.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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