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35037-73-1 | 4-(Trifluoromethoxy)phenyl isocyanate
CAS No: 35037-73-1 Catalog No: AG0033U4 MDL No:MFCD00035702
Product Description
Catalog Number:
AG0033U4
Chemical Name:
4-(Trifluoromethoxy)phenyl isocyanate
CAS Number:
35037-73-1
Molecular Formula:
C8H4F3NO2
Molecular Weight:
203.1181
MDL Number:
MFCD00035702
IUPAC Name:
1-isocyanato-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H4F3NO2/c9-8(10,11)14-7-3-1-6(2-4-7)12-5-13/h1-4H
InChI Key:
LGPKFIGMLPDYEA-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)OC(F)(F)F
EC Number:
252-328-0
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.12g/mol
Monoisotopic Mass:
203.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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