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206658-80-2 | 5H-[1]Benzopyrano[2,3-b]pyridine-3-carbonitrile, 2-amino-7-bromo-5-oxo-
CAS No: 206658-80-2 Catalog No: AG002IKP MDL No:
Product Description
Catalog Number:
AG002IKP
Chemical Name:
5H-[1]Benzopyrano[2,3-b]pyridine-3-carbonitrile, 2-amino-7-bromo-5-oxo-
CAS Number:
206658-80-2
Molecular Formula:
C13H6BrN3O2
Molecular Weight:
316.1096
IUPAC Name:
2-amino-7-bromo-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C13H6BrN3O2/c14-7-1-2-10-8(4-7)11(18)9-3-6(5-15)12(16)17-13(9)19-10/h1-4H,(H2,16,17)
InChI Key:
UFLWUJOAQJLVMJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(nc1N)oc1c(c2=O)cc(cc1)Br
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.964g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.114g/mol
Monoisotopic Mass:
314.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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