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114500-26-4 | Benzoic acid, 4-[[(2-methyl-5-nitrophenyl)sulfonyl]amino]-
CAS No: 114500-26-4 Catalog No: AG000ELW MDL No:MFCD03495270
Product Description
Catalog Number:
AG000ELW
Chemical Name:
Benzoic acid, 4-[[(2-methyl-5-nitrophenyl)sulfonyl]amino]-
CAS Number:
114500-26-4
Molecular Formula:
C14H12N2O6S
Molecular Weight:
336.3199
MDL Number:
MFCD03495270
IUPAC Name:
4-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C14H12N2O6S/c1-9-2-7-12(16(19)20)8-13(9)23(21,22)15-11-5-3-10(4-6-11)14(17)18/h2-8,15H,1H3,(H,17,18)
InChI Key:
VTEHYMBPYYIEDL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.042g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.318g/mol
Monoisotopic Mass:
336.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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