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918340-65-5 | Benzonitrile, 4-(furo[2,3-d]pyrimidin-4-ylamino)-2-hydroxy-
CAS No: 918340-65-5 Catalog No: AG006G4X MDL No:
Product Description
Catalog Number:
AG006G4X
Chemical Name:
Benzonitrile, 4-(furo[2,3-d]pyrimidin-4-ylamino)-2-hydroxy-
CAS Number:
918340-65-5
Molecular Formula:
C13H8N4O2
Molecular Weight:
252.2282
IUPAC Name:
4-(furo[2,3-d]pyrimidin-4-ylamino)-2-hydroxybenzonitrile
InChI:
InChI=1S/C13H8N4O2/c14-6-8-1-2-9(5-11(8)18)17-12-10-3-4-19-13(10)16-7-15-12/h1-5,7,18H,(H,15,16,17)
InChI Key:
BDURCSMIYDCHJX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1O)Nc1ncnc2c1cco2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.065g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.233g/mol
Monoisotopic Mass:
252.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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