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158719-42-7,MFCD01249499
Catalog No.:AA01F7PQ

158719-42-7 | 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)amino]benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$286.00   $200.00
- +
1g
95%
in stock  
$2,586.00   $1,810.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01F7PQ
Chemical Name:
4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)amino]benzonitrile
CAS Number:
158719-42-7
Molecular Formula:
C14H11N5
Molecular Weight:
249.2706
MDL Number:
MFCD01249499
SMILES:
N#Cc1ccc(cc1)NCn1nnc2c1cccc2
Properties
Computed Properties
 
Complexity:
341  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.7  

Literature
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SDS
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Tags:158719-42-7 Molecular Formula|158719-42-7 MDL|158719-42-7 SMILES|158719-42-7 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)amino]benzonitrile
Catalog No.: AA01F7PQ
158719-42-7,MFCD01249499
158719-42-7 | 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)amino]benzonitrile
Pack Size： 100mg
Purity： 95%
in stock
$286.00 $200.00
Pack Size： 1g
Purity： 95%
in stock
$2,586.00 $1,810.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA01F7PQ
Chemical Name: 4-[(1H-1,2,3-Benzotriazol-1-ylmethyl)amino]benzonitrile
CAS Number: 158719-42-7
Molecular Formula: C14H11N5
Molecular Weight: 249.2706
MDL Number: MFCD01249499
SMILES: N#Cc1ccc(cc1)NCn1nnc2c1cccc2
Properties
Complexity: 341  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.7  
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