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87217-81-0 | Benzene, 1-(4-isocyanatophenoxy)-3-(trifluoromethyl)-
CAS No: 87217-81-0 Catalog No: AG004RQ1 MDL No:
Product Description
Catalog Number:
AG004RQ1
Chemical Name:
Benzene, 1-(4-isocyanatophenoxy)-3-(trifluoromethyl)-
CAS Number:
87217-81-0
Molecular Formula:
C14H8F3NO2
Molecular Weight:
279.2140
IUPAC Name:
1-isocyanato-4-[3-(trifluoromethyl)phenoxy]benzene
InChI:
InChI=1S/C14H8F3NO2/c15-14(16,17)10-2-1-3-13(8-10)20-12-6-4-11(5-7-12)18-9-19/h1-8H
InChI Key:
TXLOOVQXUBBPML-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)Oc1cccc(c1)C(F)(F)F
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.218g/mol
Monoisotopic Mass:
279.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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