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Home > Nitro Compounds > 89795-76-6
89795-76-6 | 3-nitro-4-sulfamoylbenzoic acid
CAS No: 89795-76-6 Catalog No: AG01AD99 MDL No:MFCD25968554
Product Description
Catalog Number:
AG01AD99
Chemical Name:
3-nitro-4-sulfamoylbenzoic acid
CAS Number:
89795-76-6
Molecular Formula:
C7H6N2O6S
Molecular Weight:
246.1973
MDL Number:
MFCD25968554
IUPAC Name:
3-nitro-4-sulfamoylbenzoic acid
InChI:
InChI=1S/C7H6N2O6S/c8-16(14,15)6-2-1-4(7(10)11)3-5(6)9(12)13/h1-3H,(H,10,11)(H2,8,14,15)
InChI Key:
CVNYDIJDUSXBSC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1S(=O)(=O)N)C(=O)O
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.995g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.193g/mol
Monoisotopic Mass:
245.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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