3-(4-aminophenyl)sulfonyl-5-methyl-benzene-1,2-diol 53760-97-7 CAS NO.53760-97-7

Min.Order: 1 Gram
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Product Details

Keywords

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

Quick Details

ProName: 3-(4-aminophenyl)sulfonyl-5-methyl-ben...
CasNo: 53760-97-7
Molecular Formula: C13H13NO4S
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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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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