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918340-69-9 | Benzonitrile, 2-hydroxy-4-(pyrrolo[1,2-a]pyrazin-1-ylamino)-
CAS No: 918340-69-9 Catalog No: AG006G4V MDL No:
Product Description
Catalog Number:
AG006G4V
Chemical Name:
Benzonitrile, 2-hydroxy-4-(pyrrolo[1,2-a]pyrazin-1-ylamino)-
CAS Number:
918340-69-9
Molecular Formula:
C14H10N4O
Molecular Weight:
250.2554
IUPAC Name:
2-hydroxy-4-(pyrrolo[1,2-a]pyrazin-1-ylamino)benzonitrile
InChI:
InChI=1S/C14H10N4O/c15-9-10-3-4-11(8-13(10)19)17-14-12-2-1-6-18(12)7-5-16-14/h1-8,19H,(H,16,17)
InChI Key:
JJUPCTJPMQMTJE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1O)Nc1nccn2c1ccc2
Properties
Complexity:
366
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:
2
Isotope Atom Count:
0
Molecular Weight:
250.261g/mol
Monoisotopic Mass:
250.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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