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Home > Fluorides > 190774-51-7
190774-51-7 | Benzene, 4-fluoro-1-isocyanato-2-nitro-
CAS No: 190774-51-7 Catalog No: AG002ESH MDL No:
Product Description
Catalog Number:
AG002ESH
Chemical Name:
Benzene, 4-fluoro-1-isocyanato-2-nitro-
CAS Number:
190774-51-7
Molecular Formula:
C7H3FN2O3
Molecular Weight:
182.1087
IUPAC Name:
4-fluoro-1-isocyanato-2-nitrobenzene
InChI:
InChI=1S/C7H3FN2O3/c8-5-1-2-6(9-4-11)7(3-5)10(12)13/h1-3H
InChI Key:
CPPNERLQTDSECZ-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1[N+](=O)[O-])F
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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