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59776-60-2 | 3,5-Dinitrophenyl isocyanate
CAS No: 59776-60-2 Catalog No: AG003IPI MDL No:MFCD00210046
Product Description
Catalog Number:
AG003IPI
Chemical Name:
3,5-Dinitrophenyl isocyanate
CAS Number:
59776-60-2
MDL Number:
MFCD00210046
IUPAC Name:
1-isocyanato-3,5-dinitrobenzene
InChI:
InChI=1S/C7H3N3O5/c11-4-8-5-1-6(9(12)13)3-7(2-5)10(14)15/h1-3H
InChI Key:
JZPRXQSCMBDGKP-UHFFFAOYSA-N
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.117g/mol
Monoisotopic Mass:
209.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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