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Home > Fluorides > 285125-01-1
285125-01-1 | 4-Nitro-2-(trifluoromethyl)phenylisothiocyanate
CAS No: 285125-01-1 Catalog No: AG01F9XA MDL No:MFCD09800733
Product Description
Catalog Number:
AG01F9XA
Chemical Name:
4-Nitro-2-(trifluoromethyl)phenylisothiocyanate
CAS Number:
285125-01-1
Molecular Formula:
C8H3F3N2O2S
Molecular Weight:
248.1818
MDL Number:
MFCD09800733
IUPAC Name:
1-isothiocyanato-4-nitro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3F3N2O2S/c9-8(10,11)6-3-5(13(14)15)1-2-7(6)12-4-16/h1-3H
InChI Key:
RZXRKQJDABYIQB-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.987g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.179g/mol
Monoisotopic Mass:
247.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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