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Home > Nitro Compounds > 88847-13-6
88847-13-6 | 9H-Carbazole, 1,2,6,8-tetranitro-
CAS No: 88847-13-6 Catalog No: AG004BP6 MDL No:
Product Description
Catalog Number:
AG004BP6
Chemical Name:
9H-Carbazole, 1,2,6,8-tetranitro-
CAS Number:
88847-13-6
Molecular Formula:
C12H5N5O8
Molecular Weight:
347.1968
IUPAC Name:
1,2,6,8-tetranitro-9H-carbazole
InChI:
InChI=1S/C12H5N5O8/c18-14(19)5-3-7-6-1-2-8(15(20)21)12(17(24)25)11(6)13-10(7)9(4-5)16(22)23/h1-4,13H
InChI Key:
VJWZJIVIYKFFBO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(c(c1)[N+](=O)[O-])[nH]c1c2ccc(c1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.014g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.199g/mol
Monoisotopic Mass:
347.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
199A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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