Home Other Building Blocks 2-CHLORO-6-PHENOXYBENZONITRILE

2-CHLORO-6-PHENOXYBENZONITRILE

CAS No.:
91692-70-5
Catalog Number:
AG003H16
Molecular Formula:
C13H8ClNO
Molecular Weight:
229.6617
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Product Description
Catalog Number:
AG003H16
Chemical Name:
2-CHLORO-6-PHENOXYBENZONITRILE
CAS Number:
91692-70-5
Molecular Formula:
C13H8ClNO
Molecular Weight:
229.6617
MDL Number:
MFCD00051626
IUPAC Name:
2-chloro-6-phenoxybenzonitrile
InChI:
InChI=1S/C13H8ClNO/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H
InChI Key:
XQEBKWUAXCHXRY-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1Cl)Oc1ccccc1
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.029g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.663g/mol
Monoisotopic Mass:
229.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties