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13720-44-0 | Naphthalene, 1-fluoro-5-nitro-
CAS No: 13720-44-0 Catalog No: AG0012Y2 MDL No:
Product Description
Catalog Number:
AG0012Y2
Chemical Name:
Naphthalene, 1-fluoro-5-nitro-
CAS Number:
13720-44-0
Molecular Formula:
C10H6FNO2
Molecular Weight:
191.1585
IUPAC Name:
1-fluoro-5-nitronaphthalene
InChI:
InChI=1S/C10H6FNO2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12(13)14/h1-6H
InChI Key:
UTIRKPWIJBXLEC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1cccc2F
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.161g/mol
Monoisotopic Mass:
191.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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