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Home > Fluorides > 137677-85-1
137677-85-1 | Benzene, 2-fluoro-4-isocyanato-1-nitro-
CAS No: 137677-85-1 Catalog No: AG0013PW MDL No:
Product Description
Catalog Number:
AG0013PW
Chemical Name:
Benzene, 2-fluoro-4-isocyanato-1-nitro-
CAS Number:
137677-85-1
Molecular Formula:
C7H3FN2O3
Molecular Weight:
182.1087
IUPAC Name:
2-fluoro-4-isocyanato-1-nitrobenzene
InChI:
InChI=1S/C7H3FN2O3/c8-6-3-5(9-4-11)1-2-7(6)10(12)13/h1-3H
InChI Key:
UUHCQJGWGATUCV-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1)F)[N+](=O)[O-]
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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