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Home > Nitro Compounds > 90178-60-2
90178-60-2 | Benzonitrile, 4-[2-[4-(4-cyanophenoxy)phenyl]-2-oxoethyl]-3-nitro-
CAS No: 90178-60-2 Catalog No: AG00H5VK MDL No:
Product Description
Catalog Number:
AG00H5VK
Chemical Name:
Benzonitrile, 4-[2-[4-(4-cyanophenoxy)phenyl]-2-oxoethyl]-3-nitro-
CAS Number:
90178-60-2
Molecular Formula:
C22H13N3O4
Molecular Weight:
383.3563
IUPAC Name:
4-[2-[4-(4-cyanophenoxy)phenyl]-2-oxoethyl]-3-nitrobenzonitrile
InChI:
InChI=1S/C22H13N3O4/c23-13-15-2-7-19(8-3-15)29-20-9-5-17(6-10-20)22(26)12-18-4-1-16(14-24)11-21(18)25(27)28/h1-11H,12H2
InChI Key:
YIWKVSVQNCVXHE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Oc1ccc(cc1)C(=O)Cc1ccc(cc1[N+](=O)[O-])C#N
Properties
Complexity:
684
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.091g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.363g/mol
Monoisotopic Mass:
383.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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