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125023-51-0 | 1,2-Benzenedicarbonitrile, 4-[4-(1,1-dimethylethyl)phenoxy]-
CAS No: 125023-51-0 Catalog No: AG000MZI MDL No:
Product Description
Catalog Number:
AG000MZI
Chemical Name:
1,2-Benzenedicarbonitrile, 4-[4-(1,1-dimethylethyl)phenoxy]-
CAS Number:
125023-51-0
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
IUPAC Name:
4-(4-tert-butylphenoxy)benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C18H16N2O/c1-18(2,3)15-5-8-16(9-6-15)21-17-7-4-13(11-19)14(10-17)12-20/h4-10H,1-3H3
InChI Key:
JWUUXSUVPLUBCG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C#N)Oc1ccc(cc1)C(C)(C)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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