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113540-68-4 | Propanenitrile, 2-methyl-2-[4-(phenylamino)phenoxy]-
CAS No: 113540-68-4 Catalog No: AG0008XU MDL No:
Product Description
Catalog Number:
AG0008XU
Chemical Name:
Propanenitrile, 2-methyl-2-[4-(phenylamino)phenoxy]-
CAS Number:
113540-68-4
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
IUPAC Name:
2-(4-anilinophenoxy)-2-methylpropanenitrile
InChI:
InChI=1S/C16H16N2O/c1-16(2,12-17)19-15-10-8-14(9-11-15)18-13-6-4-3-5-7-13/h3-11,18H,1-2H3
InChI Key:
GAWCYVFRFJOHLD-UHFFFAOYSA-N
SMILES:
N#CC(Oc1ccc(cc1)Nc1ccccc1)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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