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16233-11-7 | 9H-Fluoren-9-one, 3-bromo-7-fluoro-2-nitro-
CAS No: 16233-11-7 Catalog No: AG001T0N MDL No:
Product Description
Catalog Number:
AG001T0N
Chemical Name:
9H-Fluoren-9-one, 3-bromo-7-fluoro-2-nitro-
CAS Number:
16233-11-7
Molecular Formula:
C13H5BrFNO3
Molecular Weight:
322.0861
IUPAC Name:
3-bromo-7-fluoro-2-nitrofluoren-9-one
InChI:
InChI=1S/C13H5BrFNO3/c14-11-4-8-7-2-1-6(15)3-9(7)13(17)10(8)5-12(11)16(18)19/h1-5H
InChI Key:
XMTJWHNAHDTOMZ-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)C(=O)c1c2cc(c(c1)[N+](=O)[O-])Br
NSC Number:
109580
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.944g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.089g/mol
Monoisotopic Mass:
320.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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