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58417-15-5 | 4-(DIFLUOROMETHOXY)PHENYL ISOCYANATE
CAS No: 58417-15-5 Catalog No: AG003K7J MDL No:MFCD00673056
Product Description
Catalog Number:
AG003K7J
Chemical Name:
4-(DIFLUOROMETHOXY)PHENYL ISOCYANATE
CAS Number:
58417-15-5
MDL Number:
MFCD00673056
IUPAC Name:
1-(difluoromethoxy)-4-isocyanatobenzene
InChI:
InChI=1S/C8H5F2NO2/c9-8(10)13-7-3-1-6(2-4-7)11-5-12/h1-4,8H
InChI Key:
XLUSNOUGZQJPRN-UHFFFAOYSA-N
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.13g/mol
Monoisotopic Mass:
185.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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