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1257072-48-2 | 2-Pyrazinecarbonitrile, 3-chloro-6-(hydroxymethyl)-
CAS No: 1257072-48-2 Catalog No: AG000OIO MDL No:MFCD28099367
Product Description
Catalog Number:
AG000OIO
Chemical Name:
2-Pyrazinecarbonitrile, 3-chloro-6-(hydroxymethyl)-
CAS Number:
1257072-48-2
Molecular Formula:
C6H4ClN3O
Molecular Weight:
169.5685
MDL Number:
MFCD28099367
IUPAC Name:
3-chloro-6-(hydroxymethyl)pyrazine-2-carbonitrile
InChI:
InChI=1S/C6H4ClN3O/c7-6-5(1-8)10-4(3-11)2-9-6/h2,11H,3H2
InChI Key:
WJOCUOANJCXAGH-UHFFFAOYSA-N
SMILES:
OCc1cnc(c(n1)C#N)Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.568g/mol
Monoisotopic Mass:
169.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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