168260-22-8,MFCD18089383
Catalog No.:AA00B32D

168260-22-8 | 2-(3-Isopropyl-1H-1,2,4-triazol-5-yl)acetonitrile

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  • Properties
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Technical Information
Catalog Number:
AA00B32D
Chemical Name:
2-(3-Isopropyl-1H-1,2,4-triazol-5-yl)acetonitrile
CAS Number:
168260-22-8
Molecular Formula:
C7H10N4
Molecular Weight:
150.1811
MDL Number:
MFCD18089383
SMILES:
CC(c1nnc([nH]1)CC#N)C
Properties
Computed Properties
 
Complexity:
169  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.8  

Literature
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SDS
Tags:168260-22-8 Molecular Formula|168260-22-8 MDL|168260-22-8 SMILES|168260-22-8 2-(3-Isopropyl-1H-1,2,4-triazol-5-yl)acetonitrile
Catalog No.: AA00B32D
168260-22-8,MFCD18089383
168260-22-8 | 2-(3-Isopropyl-1H-1,2,4-triazol-5-yl)acetonitrile
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: AA00B32D
Chemical Name: 2-(3-Isopropyl-1H-1,2,4-triazol-5-yl)acetonitrile
CAS Number: 168260-22-8
Molecular Formula: C7H10N4
Molecular Weight: 150.1811
MDL Number: MFCD18089383
SMILES: CC(c1nnc([nH]1)CC#N)C
Properties
Complexity: 169  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.8  
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