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865664-36-4 | 1,2-Benzenedicarbonitrile, 4-(4-amino-3-nitrophenoxy)-
CAS No: 865664-36-4 Catalog No: AG004PKP MDL No:
Product Description
Catalog Number:
AG004PKP
Chemical Name:
1,2-Benzenedicarbonitrile, 4-(4-amino-3-nitrophenoxy)-
CAS Number:
865664-36-4
Molecular Formula:
C14H8N4O3
Molecular Weight:
280.2383
IUPAC Name:
4-(4-amino-3-nitrophenoxy)benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C14H8N4O3/c15-7-9-1-2-11(5-10(9)8-16)21-12-3-4-13(17)14(6-12)18(19)20/h1-6H,17H2
InChI Key:
ZKHIJUHWTZRZPY-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C#N)Oc1ccc(c(c1)[N+](=O)[O-])N
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.06g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.243g/mol
Monoisotopic Mass:
280.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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