Home Other Building Blocks 2,4,6-Trifluorophenyl Isocyanate

2,4,6-Trifluorophenyl Isocyanate

CAS No.:
50528-80-8
Catalog Number:
AG003761
Molecular Formula:
C7H2F3NO
Molecular Weight:
173.0921
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Product Description
Catalog Number:
AG003761
Chemical Name:
2,4,6-Trifluorophenyl Isocyanate
CAS Number:
50528-80-8
Molecular Formula:
C7H2F3NO
Molecular Weight:
173.0921
MDL Number:
MFCD03426028
IUPAC Name:
1,3,5-trifluoro-2-isocyanatobenzene
InChI:
InChI=1S/C7H2F3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChI Key:
XORSGSHLSDFOHP-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(F)cc(cc1F)F
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.094g/mol
Monoisotopic Mass:
173.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties