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680983-41-9

680983-41-9 | Benzoic acid, 4-[(4-cyanophenyl)amino]-, ethyl ester

CAS No: 680983-41-9 Catalog No: AG006FZM MDL No:

Product Description

Catalog Number:
AG006FZM
Chemical Name:
Benzoic acid, 4-[(4-cyanophenyl)amino]-, ethyl ester
CAS Number:
680983-41-9
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
ethyl 4-(4-cyanoanilino)benzoate
InChI:
InChI=1S/C16H14N2O2/c1-2-20-16(19)13-5-9-15(10-6-13)18-14-7-3-12(11-17)4-8-14/h3-10,18H,2H2,1H3
InChI Key:
DVOUGEKCVPTNHL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)Nc1ccc(cc1)C#N

Properties

Complexity:
358  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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