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89055-84-5 | 3H-Indeno[1,2-c]pyridazin-3-one, 6-bromo-5-ethyl-2,4-dihydro-
CAS No: 89055-84-5 Catalog No: AG0041KK MDL No:
Product Description
Catalog Number:
AG0041KK
Chemical Name:
3H-Indeno[1,2-c]pyridazin-3-one, 6-bromo-5-ethyl-2,4-dihydro-
CAS Number:
89055-84-5
Molecular Formula:
C13H11BrN2O
Molecular Weight:
291.1432
IUPAC Name:
6-bromo-5-ethyl-2,4-dihydroindeno[1,2-c]pyridazin-3-one
InChI:
InChI=1S/C13H11BrN2O/c1-2-7-9-6-11(17)15-16-13(9)8-4-3-5-10(14)12(7)8/h3-5H,2,6H2,1H3,(H,15,17)
InChI Key:
IUJDPTKMRPWCKC-UHFFFAOYSA-N
SMILES:
CCC1=C2CC(=O)NN=C2c2c1c(Br)ccc2
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.005g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.148g/mol
Monoisotopic Mass:
290.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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