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820212-41-7 | Benzonitrile, 4-(3,7-dihydro-7-methyl-3-oxoimidazo[1,2-a]pyrazin-2-yl)-
CAS No: 820212-41-7 Catalog No: AG008KNF MDL No:
Product Description
Catalog Number:
AG008KNF
Chemical Name:
Benzonitrile, 4-(3,7-dihydro-7-methyl-3-oxoimidazo[1,2-a]pyrazin-2-yl)-
CAS Number:
820212-41-7
Molecular Formula:
C14H10N4O
Molecular Weight:
250.2554
IUPAC Name:
4-(7-methyl-3-oxoimidazo[1,2-a]pyrazin-2-yl)benzonitrile
InChI:
InChI=1S/C14H10N4O/c1-17-6-7-18-12(9-17)16-13(14(18)19)11-4-2-10(8-15)3-5-11/h2-7,9H,1H3
InChI Key:
PWARKSJUNNQBDC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1nc2n(c1=O)ccn(c2)C
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.261g/mol
Monoisotopic Mass:
250.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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