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Home Halogens 3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide

3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide

CAS No.:
40127-89-7
Catalog Number:
AG003IWS
Molecular Formula:
C6H5ClN4O
Molecular Weight:
184.5831
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$159
- +
5g
1 week
United States
$402
- +
Product Description
Catalog Number:
AG003IWS
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
IUPAC Name:
6-(chloromethyl)-4-hydroxy-3-iminopyrazine-2-carbonitrile
InChI:
InChI=1S/C6H5ClN4O/c7-1-4-3-11(12)6(9)5(2-8)10-4/h3,9,12H,1H2
InChI Key:
WFVMXQJFTZCDPJ-UHFFFAOYSA-N
SMILES:
ClCc1c[n+]([O-])c(c(n1)C#N)N
EC Number:
254-799-8
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.583g/mol
Monoisotopic Mass:
184.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties