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Home > Nitro Compounds > 818376-83-9
818376-83-9 | 9H-Carbazole, 9-ethyl-3-methyl-1,6-dinitro-
CAS No: 818376-83-9 Catalog No: AG0056PW MDL No:
Product Description
Catalog Number:
AG0056PW
Chemical Name:
9H-Carbazole, 9-ethyl-3-methyl-1,6-dinitro-
CAS Number:
818376-83-9
Molecular Formula:
C15H13N3O4
Molecular Weight:
299.2814
IUPAC Name:
9-ethyl-3-methyl-1,6-dinitrocarbazole
InChI:
InChI=1S/C15H13N3O4/c1-3-16-13-5-4-10(17(19)20)8-11(13)12-6-9(2)7-14(15(12)16)18(21)22/h4-8H,3H2,1-2H3
InChI Key:
CRIGNQQLUJRIIN-UHFFFAOYSA-N
SMILES:
CCn1c2ccc(cc2c2c1c(cc(c2)C)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.286g/mol
Monoisotopic Mass:
299.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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