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Home > Nitro Compounds > 29092-31-7
29092-31-7 | 2-Nitro-4-sulfamoylbenzoic acid
CAS No: 29092-31-7 Catalog No: AG00I5EF MDL No:MFCD27981346
Product Description
Catalog Number:
AG00I5EF
Chemical Name:
2-Nitro-4-sulfamoylbenzoic acid
CAS Number:
29092-31-7
Molecular Formula:
C7H6N2O6S
Molecular Weight:
246.1973
MDL Number:
MFCD27981346
IUPAC Name:
2-nitro-4-sulfamoylbenzoic acid
InChI:
InChI=1S/C7H6N2O6S/c8-16(14,15)4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)(H2,8,14,15)
InChI Key:
DGRCSZFTPTUQGS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C(=O)O)S(=O)(=O)N
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
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