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Home > Fluorides > 1194952-33-4
1194952-33-4 | 9H-Fluorene, 9,9-dibutyl-2-nitro-
CAS No: 1194952-33-4 Catalog No: AG000IVG MDL No:
Product Description
Catalog Number:
AG000IVG
Chemical Name:
9H-Fluorene, 9,9-dibutyl-2-nitro-
CAS Number:
1194952-33-4
Molecular Formula:
C21H25NO2
Molecular Weight:
323.4287
IUPAC Name:
9,9-dibutyl-2-nitrofluorene
InChI:
InChI=1S/C21H25NO2/c1-3-5-13-21(14-6-4-2)19-10-8-7-9-17(19)18-12-11-16(22(23)24)15-20(18)21/h7-12,15H,3-6,13-14H2,1-2H3
InChI Key:
VCPWFFATCCGJFR-UHFFFAOYSA-N
SMILES:
CCCCC1(CCCC)c2cc(ccc2c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.436g/mol
Monoisotopic Mass:
323.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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