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146537-85-1 | Benzonitrile, 2-(4-chlorophenoxy)-
CAS No: 146537-85-1 Catalog No: AG001E45 MDL No:
Product Description
Catalog Number:
AG001E45
Chemical Name:
Benzonitrile, 2-(4-chlorophenoxy)-
CAS Number:
146537-85-1
Molecular Formula:
C13H8ClNO
Molecular Weight:
229.6617
IUPAC Name:
2-(4-chlorophenoxy)benzonitrile
InChI:
InChI=1S/C13H8ClNO/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-8H
InChI Key:
OAKRNCISUVTPPE-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1Oc1ccc(cc1)Cl
Properties
Complexity:
264
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:
3.7
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