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163968-99-8 | 1H-Benz[f]isoindol-3-amine, 4,9-diethoxy-1-imino-
CAS No: 163968-99-8 Catalog No: AG001UK2 MDL No:
Product Description
Catalog Number:
AG001UK2
Chemical Name:
1H-Benz[f]isoindol-3-amine, 4,9-diethoxy-1-imino-
CAS Number:
163968-99-8
Molecular Formula:
C16H17N3O2
Molecular Weight:
283.3251
IUPAC Name:
4,9-diethoxy-3-iminobenzo[f]isoindol-1-amine
InChI:
InChI=1S/C16H17N3O2/c1-3-20-13-9-7-5-6-8-10(9)14(21-4-2)12-11(13)15(17)19-16(12)18/h5-8H,3-4H2,1-2H3,(H3,17,18,19)
InChI Key:
RGACNZNNZCFKQY-UHFFFAOYSA-N
SMILES:
CCOc1c2C(=N)N=C(c2c(c2c1cccc2)OCC)N
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.331g/mol
Monoisotopic Mass:
283.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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