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113698-47-8 | 1H-Indol-1-amine, N-[(5-nitro-2-furanyl)methylene]-
CAS No: 113698-47-8 Catalog No: AG0009CZ MDL No:
Product Description
Catalog Number:
AG0009CZ
Chemical Name:
1H-Indol-1-amine, N-[(5-nitro-2-furanyl)methylene]-
CAS Number:
113698-47-8
Molecular Formula:
C13H9N3O3
Molecular Weight:
255.2289
IUPAC Name:
N-indol-1-yl-1-(5-nitrofuran-2-yl)methanimine
InChI:
InChI=1S/C13H9N3O3/c17-16(18)13-6-5-11(19-13)9-14-15-8-7-10-3-1-2-4-12(10)15/h1-9H
InChI Key:
ICHKAELODFMQPQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)C=Nn1ccc2c1cccc2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.233g/mol
Monoisotopic Mass:
255.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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