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1257072-46-0 | 2-Pyrazinecarbonitrile, 3-chloro-6-(2,2-difluoroethyl)-
CAS No: 1257072-46-0 Catalog No: AG000OIP MDL No:
Product Description
Catalog Number:
AG000OIP
Chemical Name:
2-Pyrazinecarbonitrile, 3-chloro-6-(2,2-difluoroethyl)-
CAS Number:
1257072-46-0
Molecular Formula:
C7H4ClF2N3
Molecular Weight:
203.5766
IUPAC Name:
3-chloro-6-(2,2-difluoroethyl)pyrazine-2-carbonitrile
InChI:
InChI=1S/C7H4ClF2N3/c8-7-5(2-11)13-4(3-12-7)1-6(9)10/h3,6H,1H2
InChI Key:
UTVZIABOUYECKF-UHFFFAOYSA-N
SMILES:
FC(Cc1cnc(c(n1)C#N)Cl)F
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.006g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.577g/mol
Monoisotopic Mass:
203.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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