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116822-66-3 | 1,2-Benzenedicarbonitrile, 4-(3-aminophenoxy)-
CAS No: 116822-66-3 Catalog No: AG000D9C MDL No:
Product Description
Catalog Number:
AG000D9C
Chemical Name:
1,2-Benzenedicarbonitrile, 4-(3-aminophenoxy)-
CAS Number:
116822-66-3
Molecular Formula:
C14H9N3O
Molecular Weight:
235.2408
IUPAC Name:
4-(3-aminophenoxy)benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C14H9N3O/c15-8-10-4-5-14(6-11(10)9-16)18-13-3-1-2-12(17)7-13/h1-7H,17H2
InChI Key:
UKBHTTQHEPMYPP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C#N)Oc1cccc(c1)N
NSC Number:
646250
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.246g/mol
Monoisotopic Mass:
235.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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