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Home > Nitro Compounds > 750613-71-9
750613-71-9 | 4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
CAS No: 750613-71-9 Catalog No: AG019GOB MDL No:MFCD03655873
Product Description
Catalog Number:
AG019GOB
Chemical Name:
4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
CAS Number:
750613-71-9
Molecular Formula:
C15H14N2O8S
Molecular Weight:
382.3453
MDL Number:
MFCD03655873
IUPAC Name:
4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C15H14N2O8S/c1-24-12-6-4-10(17(20)21)8-11(12)16-26(22,23)14-7-9(15(18)19)3-5-13(14)25-2/h3-8,16H,1-2H3,(H,18,19)
InChI Key:
MBDDAIOGRWGACF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NS(=O)(=O)c1cc(ccc1OC)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.047g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.343g/mol
Monoisotopic Mass:
382.047g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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