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52239-04-0,MFCD00800418
Catalog No.:AA006VES

52239-04-0 | METHYL N-ETHYL-N-[4-[(5-NITRO-2,1-BENZISOTHIAZOL-3-YL)AZO]PHENYL]-BETA-ALANINATE

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006VES
Chemical Name:
METHYL N-ETHYL-N-[4-[(5-NITRO-2,1-BENZISOTHIAZOL-3-YL)AZO]PHENYL]-BETA-ALANINATE
CAS Number:
52239-04-0
Molecular Formula:
C19H19N5O4S
Molecular Weight:
413.4503
MDL Number:
MFCD00800418
SMILES:
CCN(c1ccc(cc1)N=Nc1snc2c1cc(cc2)[N+](=O)[O-])CCC(=O)OC
Properties
Properties
 
BP:
597.5°C at 760 mmHg  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
594  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.6  

Literature
Quotation Request
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SDS
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Tags:52239-04-0 Molecular Formula|52239-04-0 MDL|52239-04-0 SMILES|52239-04-0 METHYL N-ETHYL-N-[4-[(5-NITRO-2,1-BENZISOTHIAZOL-3-YL)AZO]PHENYL]-BETA-ALANINATE
Catalog No.: AA006VES
52239-04-0,MFCD00800418
52239-04-0 | METHYL N-ETHYL-N-[4-[(5-NITRO-2,1-BENZISOTHIAZOL-3-YL)AZO]PHENYL]-BETA-ALANINATE
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA006VES
Chemical Name: METHYL N-ETHYL-N-[4-[(5-NITRO-2,1-BENZISOTHIAZOL-3-YL)AZO]PHENYL]-BETA-ALANINATE
CAS Number: 52239-04-0
Molecular Formula: C19H19N5O4S
Molecular Weight: 413.4503
MDL Number: MFCD00800418
SMILES: CCN(c1ccc(cc1)N=Nc1snc2c1cc(cc2)[N+](=O)[O-])CCC(=O)OC
Properties
BP: 597.5°C at 760 mmHg  
Storage: 2-8℃;  
Complexity: 594  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 29  
Hydrogen Bond Acceptor Count: 9  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.6  
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