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1245648-40-1 | Pyrazine, 2-cyclopropyl-6-phenyl-
CAS No: 1245648-40-1 Catalog No: AG000MCK MDL No:
Product Description
Catalog Number:
AG000MCK
Chemical Name:
Pyrazine, 2-cyclopropyl-6-phenyl-
CAS Number:
1245648-40-1
Molecular Formula:
C13H12N2
Molecular Weight:
196.2478
IUPAC Name:
2-cyclopropyl-6-phenylpyrazine
InChI:
InChI=1S/C13H12N2/c1-2-4-10(5-3-1)12-8-14-9-13(15-12)11-6-7-11/h1-5,8-9,11H,6-7H2
InChI Key:
HBSYSPYEVXFMHQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cncc(n1)C1CC1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.253g/mol
Monoisotopic Mass:
196.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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