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114548-44-6 | 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(2-pyrazinylimino)-
CAS No: 114548-44-6 Catalog No: AG000EOJ MDL No:
Product Description
Catalog Number:
AG000EOJ
Chemical Name:
2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(2-pyrazinylimino)-
CAS Number:
114548-44-6
Molecular Formula:
C18H23N3O
Molecular Weight:
297.3947
IUPAC Name:
2,6-ditert-butyl-4-pyrazin-2-yliminocyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C18H23N3O/c1-17(2,3)13-9-12(21-15-11-19-7-8-20-15)10-14(16(13)22)18(4,5)6/h7-11H,1-6H3
InChI Key:
BXZYXBNXIVJZLT-UHFFFAOYSA-N
SMILES:
CC(C1=CC(=Nc2nccnc2)C=C(C1=O)C(C)(C)C)(C)C
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.184g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.402g/mol
Monoisotopic Mass:
297.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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