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Home > Nitro Compounds > 88847-15-8
88847-15-8 | 9H-Carbazole, 2,4,7-trinitro-
CAS No: 88847-15-8 Catalog No: AG0049ZS MDL No:
Product Description
Catalog Number:
AG0049ZS
Chemical Name:
9H-Carbazole, 2,4,7-trinitro-
CAS Number:
88847-15-8
Molecular Formula:
C12H6N4O6
Molecular Weight:
302.1992
IUPAC Name:
2,4,7-trinitro-9H-carbazole
InChI:
InChI=1S/C12H6N4O6/c17-14(18)6-1-2-8-9(3-6)13-10-4-7(15(19)20)5-11(12(8)10)16(21)22/h1-5,13H
InChI Key:
PCBOZUVGOCWXRF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc2c1c1ccc(cc1[nH]2)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.029g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.202g/mol
Monoisotopic Mass:
302.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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