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Home > Fluorides > 190774-54-0
190774-54-0 | Benzene, 4-fluoro-1-isocyanato-2-(trifluoromethyl)-
CAS No: 190774-54-0 Catalog No: AG002ESE MDL No:MFCD00673071
Product Description
Catalog Number:
AG002ESE
Chemical Name:
Benzene, 4-fluoro-1-isocyanato-2-(trifluoromethyl)-
CAS Number:
190774-54-0
Molecular Formula:
C8H3F4NO
Molecular Weight:
205.1091
MDL Number:
MFCD00673071
IUPAC Name:
4-fluoro-1-isocyanato-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3F4NO/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H
InChI Key:
MNANIHSTOUUFNY-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1C(F)(F)F)F
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.112g/mol
Monoisotopic Mass:
205.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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