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Home > Fluorides > 872604-17-6
872604-17-6 | 9H-Carbazole, 7-nitro-1-(trifluoromethyl)-
CAS No: 872604-17-6 Catalog No: AG004MIX MDL No:
Product Description
Catalog Number:
AG004MIX
Chemical Name:
9H-Carbazole, 7-nitro-1-(trifluoromethyl)-
CAS Number:
872604-17-6
Molecular Formula:
C13H7F3N2O2
Molecular Weight:
280.2021
IUPAC Name:
7-nitro-1-(trifluoromethyl)-9H-carbazole
InChI:
InChI=1S/C13H7F3N2O2/c14-13(15,16)10-3-1-2-9-8-5-4-7(18(19)20)6-11(8)17-12(9)10/h1-6,17H
InChI Key:
DUUJKGIWNIYLIR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1C(F)(F)F
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.206g/mol
Monoisotopic Mass:
280.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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