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139768-71-1 | Benzene, 1-isothiocyanato-4-(phenylmethoxy)-
CAS No: 139768-71-1 Catalog No: AG001BOF MDL No:MFCD00041095
Product Description
Catalog Number:
AG001BOF
Chemical Name:
Benzene, 1-isothiocyanato-4-(phenylmethoxy)-
CAS Number:
139768-71-1
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
MDL Number:
MFCD00041095
IUPAC Name:
1-isothiocyanato-4-phenylmethoxybenzene
InChI:
InChI=1S/C14H11NOS/c17-11-15-13-6-8-14(9-7-13)16-10-12-4-2-1-3-5-12/h1-9H,10H2
InChI Key:
OQXRBXAFSXVCCO-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)OCc1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.308g/mol
Monoisotopic Mass:
241.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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