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40127-89-7,MFCD00006123
Catalog No.:AA003IU0

40127-89-7 | 3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide

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Technical Information
Catalog Number:
AA003IU0
Chemical Name:
3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide
CAS Number:
40127-89-7
Molecular Formula:
C6H5ClN4O
Molecular Weight:
184.5831
MDL Number:
MFCD00006123
SMILES:
ClCc1c[n+]([O-])c(c(n1)C#N)N
Properties
Computed Properties
 
Complexity:
324  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
-0.4  

Literature
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SDS
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Tags:40127-89-7 Molecular Formula|40127-89-7 MDL|40127-89-7 SMILES|40127-89-7 3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide