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Home > Fluorides > 139032-23-8
139032-23-8 | Benzene, 1-isocyano-4-(trifluoromethyl)-
CAS No: 139032-23-8 Catalog No: AG001A18 MDL No:MFCD04117607
Product Description
Catalog Number:
AG001A18
Chemical Name:
Benzene, 1-isocyano-4-(trifluoromethyl)-
CAS Number:
139032-23-8
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
MDL Number:
MFCD04117607
IUPAC Name:
1-isocyano-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H4F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H
InChI Key:
MPEHAMDFHFAQLB-UHFFFAOYSA-N
SMILES:
[C-]#[N+]c1ccc(cc1)C(F)(F)F
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.122g/mol
Monoisotopic Mass:
171.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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