Benzenesulfonic acid,3,4-dichloro-, 2-chloroethyl ester 5409-78-9

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1 Gram	Negotiable

1 Gram

Negotiable

Min.Order :1 Gram
Purity: 99%
Payment Terms : L/C,T/T,

Keywords

Benzenesulfonic acid,3,4-dichloro-, 2-chloroethyl ester 5409-78-9 98%

Quick Details

Appearance:Solid
Application:Organic Chemicals
PackAge:as requested
ProductionCapacity:100|Kilogram|Month
Storage:room temperature
Transportation:as requested

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Details:

【Name】
Benzenesulfonic acid,3,4-dichloro-, 2-chloroethyl ester
【CAS Registry number】
5409-78-9
【Synonyms】
NSC 12525
【Molecular Formula】
C8H7 Cl3 O3 S (Products with the same molecular formula)
【Molecular Weight】
289.5634
【Inchi】
InChI=1/C8H7Cl3O3S/c9-3-4-14-15(12,13)6-1-2-7(10)8(11)5-6/h1-2,5H,3-4H2
【Canonical SMILES】
C1=CC(=C(C=C1S(=O)(=O)OCCCl)Cl)Cl
Chemical and Physical Properties
【Density】
1.529g/cm3
【Boiling Point】
427.8°C at 760 mmHg
【Refractive Index】
1.558
【Flash Point】
212.5°C
【Computed Properties】
Molecular Weight:289.56338 [g/mol]
Molecular Formula:C8H7Cl3O3S
XLogP3-AA:3.1
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:4
Exact Mass:287.918148
MonoIsotopic Mass:287.918148
Topological Polar Surface Area:51.8
Heavy Atom Count:15
Formal Charge:0
Complexity:288
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 Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:24

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