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206761-68-4 | 1,1'-Biphenyl, 3-isothiocyanato-4-methoxy-
CAS No: 206761-68-4 Catalog No: AG002ING MDL No:MFCD00041078
Product Description
Catalog Number:
AG002ING
Chemical Name:
1,1'-Biphenyl, 3-isothiocyanato-4-methoxy-
CAS Number:
206761-68-4
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
MDL Number:
MFCD00041078
IUPAC Name:
2-isothiocyanato-1-methoxy-4-phenylbenzene
InChI:
InChI=1S/C14H11NOS/c1-16-14-8-7-12(9-13(14)15-10-17)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
TZRMLJYZKZTEFW-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(ccc1OC)c1ccccc1
Properties
Complexity:
282
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:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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