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204192-10-9 | 2,3-Pyrazinedicarbonitrile, 5-(bromomethyl)-6-phenyl-
CAS No: 204192-10-9 Catalog No: AG0029BX MDL No:
Product Description
Catalog Number:
AG0029BX
Chemical Name:
2,3-Pyrazinedicarbonitrile, 5-(bromomethyl)-6-phenyl-
CAS Number:
204192-10-9
Molecular Formula:
C13H7BrN4
Molecular Weight:
299.1255
IUPAC Name:
5-(bromomethyl)-6-phenylpyrazine-2,3-dicarbonitrile
InChI:
InChI=1S/C13H7BrN4/c14-6-10-13(9-4-2-1-3-5-9)18-12(8-16)11(7-15)17-10/h1-5H,6H2
InChI Key:
BAXPAKGLDAZKLT-UHFFFAOYSA-N
SMILES:
BrCc1nc(C#N)c(nc1c1ccccc1)C#N
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.985g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.131g/mol
Monoisotopic Mass:
297.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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