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Home > Fluorides > 872604-07-4
872604-07-4 | 9H-Carbazole, 6-nitro-2-(trifluoromethyl)-
CAS No: 872604-07-4 Catalog No: AG004MK1 MDL No:
Product Description
Catalog Number:
AG004MK1
Chemical Name:
9H-Carbazole, 6-nitro-2-(trifluoromethyl)-
CAS Number:
872604-07-4
Molecular Formula:
C13H7F3N2O2
Molecular Weight:
280.2021
IUPAC Name:
6-nitro-2-(trifluoromethyl)-9H-carbazole
InChI:
InChI=1S/C13H7F3N2O2/c14-13(15,16)7-1-3-9-10-6-8(18(19)20)2-4-11(10)17-12(9)5-7/h1-6,17H
InChI Key:
JJRBDOATCXEQPD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c1ccc(cc1[nH]2)C(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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