Home Nitriles 5-amino-2-phenoxybenzonitrile

5-amino-2-phenoxybenzonitrile

CAS No.:
288252-04-0
Catalog Number:
AG01AFL6
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
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Product Description
Catalog Number:
AG01AFL6
Chemical Name:
5-amino-2-phenoxybenzonitrile
CAS Number:
288252-04-0
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
MDL Number:
MFCD14617347
IUPAC Name:
5-amino-2-phenoxybenzonitrile
InChI:
InChI=1S/C13H10N2O/c14-9-10-8-11(15)6-7-13(10)16-12-4-2-1-3-5-12/h1-8H,15H2
InChI Key:
MNIAKJQVYACFRT-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)ccc1Oc1ccccc1
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/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