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129882-02-6,MFCD00504795
Catalog No.:AA01F7VE

129882-02-6 | N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline

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:
AA01F7VE
Chemical Name:
N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline
CAS Number:
129882-02-6
Molecular Formula:
C16H17N5O2
Molecular Weight:
311.3385
MDL Number:
MFCD00504795
SMILES:
CCCC(n1nnc2c1cccc2)Nc1cccc(c1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
402  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.2  

Literature
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SDS
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Tags:129882-02-6 Molecular Formula|129882-02-6 MDL|129882-02-6 SMILES|129882-02-6 N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline
Catalog No.: AA01F7VE
129882-02-6,MFCD00504795
129882-02-6 | N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline
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: AA01F7VE
Chemical Name: N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline
CAS Number: 129882-02-6
Molecular Formula: C16H17N5O2
Molecular Weight: 311.3385
MDL Number: MFCD00504795
SMILES: CCCC(n1nnc2c1cccc2)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity: 402  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 23  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.2  
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