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Home > Nitro Compounds > 88847-12-5
88847-12-5 | 9H-Carbazole, 1,3,6,7-tetranitro-
CAS No: 88847-12-5 Catalog No: AG0049ZT MDL No:
Product Description
Catalog Number:
AG0049ZT
Chemical Name:
9H-Carbazole, 1,3,6,7-tetranitro-
CAS Number:
88847-12-5
Molecular Formula:
C12H5N5O8
Molecular Weight:
347.1968
IUPAC Name:
1,3,6,7-tetranitro-9H-carbazole
InChI:
InChI=1S/C12H5N5O8/c18-14(19)5-1-7-6-3-9(15(20)21)10(16(22)23)4-8(6)13-12(7)11(2-5)17(24)25/h1-4,13H
InChI Key:
GZHUCNMUMSQIRI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c3cc([N+](=O)[O-])c(cc3[nH]c2c(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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