Home Nitriles 4-(4-amino-3-methylphenoxy)benzonitrile

4-(4-amino-3-methylphenoxy)benzonitrile

CAS No.:
1099689-63-0
Catalog Number:
AG019X7N
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
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Product Description
Catalog Number:
AG019X7N
Chemical Name:
4-(4-amino-3-methylphenoxy)benzonitrile
CAS Number:
1099689-63-0
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
MDL Number:
MFCD11650936
IUPAC Name:
4-(4-amino-3-methylphenoxy)benzonitrile
InChI:
InChI=1S/C14H12N2O/c1-10-8-13(6-7-14(10)16)17-12-4-2-11(9-15)3-5-12/h2-8H,16H2,1H3
InChI Key:
AVKCCTDAMNJPLQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Oc1ccc(c(c1)C)N
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties