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Home > Fluorides > 139057-86-6
139057-86-6 | Benzene, 1-fluoro-4-isocyanato-2-(trifluoromethyl)-
CAS No: 139057-86-6 Catalog No: AG001A3C MDL No:MFCD00673072
Product Description
Catalog Number:
AG001A3C
Chemical Name:
Benzene, 1-fluoro-4-isocyanato-2-(trifluoromethyl)-
CAS Number:
139057-86-6
Molecular Formula:
C8H3F4NO
Molecular Weight:
205.1091
MDL Number:
MFCD00673072
IUPAC Name:
1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3F4NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChI Key:
OPPYFFRLKJUEOS-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1)C(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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