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Home > Nitro Compounds > 116734-78-2
116734-78-2 | 9H-Carbazole, 3-nitro-9-octyl-
CAS No: 116734-78-2 Catalog No: AG000D6A MDL No:
Product Description
Catalog Number:
AG000D6A
Chemical Name:
9H-Carbazole, 3-nitro-9-octyl-
CAS Number:
116734-78-2
Molecular Formula:
C20H24N2O2
Molecular Weight:
324.4168
IUPAC Name:
3-nitro-9-octylcarbazole
InChI:
InChI=1S/C20H24N2O2/c1-2-3-4-5-6-9-14-21-19-11-8-7-10-17(19)18-15-16(22(23)24)12-13-20(18)21/h7-8,10-13,15H,2-6,9,14H2,1H3
InChI Key:
BPYJYAMCNGEZBK-UHFFFAOYSA-N
SMILES:
CCCCCCCCn1c2ccc(cc2c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.424g/mol
Monoisotopic Mass:
324.184g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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