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68622-14-0 | 2-Fluoro-5-nitrophenyl isocyanate
CAS No: 68622-14-0 Catalog No: AG003HAL MDL No:
Product Description
Catalog Number:
AG003HAL
Chemical Name:
2-Fluoro-5-nitrophenyl isocyanate
CAS Number:
68622-14-0
IUPAC Name:
1-fluoro-2-isocyanato-4-nitrobenzene
InChI:
InChI=1S/C7H3FN2O3/c8-6-2-1-5(10(12)13)3-7(6)9-4-11/h1-3H
InChI Key:
XCDYDLFUPMSLGZ-UHFFFAOYSA-N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.11g/mol
Monoisotopic Mass:
182.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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