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16232-98-7 | 9H-Fluoren-9-one, 7-fluoro-3-(methylthio)-2-nitro-
CAS No: 16232-98-7 Catalog No: AG001T0U MDL No:
Product Description
Catalog Number:
AG001T0U
Chemical Name:
9H-Fluoren-9-one, 7-fluoro-3-(methylthio)-2-nitro-
CAS Number:
16232-98-7
Molecular Formula:
C14H8FNO3S
Molecular Weight:
289.2816
IUPAC Name:
7-fluoro-3-methylsulfanyl-2-nitrofluoren-9-one
InChI:
InChI=1S/C14H8FNO3S/c1-20-13-6-9-8-3-2-7(15)4-10(8)14(17)11(9)5-12(13)16(18)19/h2-6H,1H3
InChI Key:
OYWGYDXWMIMSAO-UHFFFAOYSA-N
SMILES:
CSc1cc2c(cc1[N+](=O)[O-])C(=O)c1c2ccc(c1)F
NSC Number:
109633
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.021g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.28g/mol
Monoisotopic Mass:
289.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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