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21046-05-9 | 9H-Carbazol-9-amine, N-(2,4,6-trinitrophenyl)-
CAS No: 21046-05-9 Catalog No: AG002KSX MDL No:
Product Description
Catalog Number:
AG002KSX
Chemical Name:
9H-Carbazol-9-amine, N-(2,4,6-trinitrophenyl)-
CAS Number:
21046-05-9
Molecular Formula:
C18H11N5O6
Molecular Weight:
393.3098
IUPAC Name:
N-(2,4,6-trinitrophenyl)carbazol-9-amine
InChI:
InChI=1S/C18H11N5O6/c24-21(25)11-9-16(22(26)27)18(17(10-11)23(28)29)19-20-14-7-3-1-5-12(14)13-6-2-4-8-15(13)20/h1-10,19H
InChI Key:
FRLJBDXFYGRMJG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1Nn1c2ccccc2c2c1cccc2)[N+](=O)[O-])[N+](=O)[O-]
EC Number:
222-973-2
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.071g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.315g/mol
Monoisotopic Mass:
393.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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