3-(4-aminophenyl)su...

3-(4-aminophenyl)sulfonyl-5-methyl-benzene-1,2-diol 53760-97-7

3-(4-aminophenyl)sulfonyl-5-methyl-benzene-1,2-diol 53760-97-7

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Keywords

3-(4-aminophenyl)sulfonyl-5-methyl-benzene-1,2-diol 53760-97-7 C13H13NO4S

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
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Details:

【Name】
3-[(4-aminophenyl)sulfonyl]-5-methylbenzene-1,2-diol
【Iupac name】
3-(4-aminophenyl)sulfonyl-5-methylbenzene-1,2-diol
【CAS Registry number】
53760-97-7
【Synonyms】
NSC226637
AC1L7MVV
CHEMBL454221
NSC-226637
3-(4-aminophenyl)sulfonyl-5-methylbenzene-1,2-diol
53760-97-7
【Molecular Formula】
C13H13NO4S (Products with the same molecular formula)
【Molecular Weight】
279.3116
【Inchi】
InChI=1/C13H13NO4S/c1-8-6-11(15)13(16)12(7-8)19(17,18)10-4-2-9(14)3-5-10/h2-7,15-16H,14H2,1H3
【Canonical SMILES】
CC1=CC(=C(C(=C1)S(=O)(=O)C2=CC=C(C=C2)N)O)O
【MOL File】
53760-97-7.mol
Chemical and Physical Properties
【Density】
1.445g/cm3
【Boiling Point】
561.1°C at 760 mmHg
【Refractive Index】
1.662
【Flash Point】
293.2°C
【Computed Properties】
Molecular Weight:279.31162 [g/mol]
Molecular Formula:C13H13NO4S
XLogP3-AA:2.2
H-Bond Donor:3
H-Bond Acceptor:5
Rotatable Bond Count:2
Tautomer Count:18
Exact Mass:279.056529
MonoIsotopic Mass:279.056529
Topological Polar Surface Area:109
Heavy Atom Count:19
Formal Charge:0
Complexity:397
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:3
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

 

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