Home Other Building Blocks 1-isothiocyanato-2-phenoxybenzene

1-isothiocyanato-2-phenoxybenzene

CAS No.:
141184-31-8
Catalog Number:
AG019VCE
Molecular Formula:
C13H9NOS
Molecular Weight:
227.2817
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Product Description
Catalog Number:
AG019VCE
Chemical Name:
1-isothiocyanato-2-phenoxybenzene
CAS Number:
141184-31-8
Molecular Formula:
C13H9NOS
Molecular Weight:
227.2817
MDL Number:
MFCD11117066
IUPAC Name:
1-isothiocyanato-2-phenoxybenzene
InChI:
InChI=1S/C13H9NOS/c16-10-14-12-8-4-5-9-13(12)15-11-6-2-1-3-7-11/h1-9H
InChI Key:
HERQJOQHRKNLIP-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccc1Oc1ccccc1
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.04g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.281g/mol
Monoisotopic Mass:
227.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties