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Home > Fluorides > 886501-55-9
886501-55-9 | 4-Iodo-2-trifluoromethoxyphenylisothiocyanate
CAS No: 886501-55-9 Catalog No: AG01EYEO MDL No:MFCD07782193
Product Description
Catalog Number:
AG01EYEO
Chemical Name:
4-Iodo-2-trifluoromethoxyphenylisothiocyanate
CAS Number:
886501-55-9
Molecular Formula:
C8H3F3INOS
Molecular Weight:
345.0802
MDL Number:
MFCD07782193
IUPAC Name:
4-iodo-1-isothiocyanato-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H3F3INOS/c9-8(10,11)14-7-3-5(12)1-2-6(7)13-4-15/h1-3H
InChI Key:
FAQBOYFUFJGDKP-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1OC(F)(F)F)I
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.893g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.078g/mol
Monoisotopic Mass:
344.893g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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