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681455-93-6,MFCD04004236
Catalog No.:AA01EWV4

681455-93-6 | 4-(1H-1,2,3-Benzotriazol-1-yl)-1,3,4-triphenylbutan-1-one

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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA01EWV4
Chemical Name:
4-(1H-1,2,3-Benzotriazol-1-yl)-1,3,4-triphenylbutan-1-one
CAS Number:
681455-93-6
Molecular Formula:
C28H23N3O
Molecular Weight:
417.5017
MDL Number:
MFCD04004236
SMILES:
O=C(c1ccccc1)CC(C(n1nnc2c1cccc2)c1ccccc1)c1ccccc1
Properties
Computed Properties
 
Complexity:
592  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5.8  

Literature
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SDS
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Tags:681455-93-6 Molecular Formula|681455-93-6 MDL|681455-93-6 SMILES|681455-93-6 4-(1H-1,2,3-Benzotriazol-1-yl)-1,3,4-triphenylbutan-1-one
Catalog No.: AA01EWV4
681455-93-6,MFCD04004236
681455-93-6 | 4-(1H-1,2,3-Benzotriazol-1-yl)-1,3,4-triphenylbutan-1-one
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: AA01EWV4
Chemical Name: 4-(1H-1,2,3-Benzotriazol-1-yl)-1,3,4-triphenylbutan-1-one
CAS Number: 681455-93-6
Molecular Formula: C28H23N3O
Molecular Weight: 417.5017
MDL Number: MFCD04004236
SMILES: O=C(c1ccccc1)CC(C(n1nnc2c1cccc2)c1ccccc1)c1ccccc1
Properties
Complexity: 592  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 32  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 2  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5.8  
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