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188740-67-2 | 9H-Carbazole, 3-iodo-6-nitro-9-tetradecyl-
CAS No: 188740-67-2 Catalog No: AG002H8N MDL No:
Product Description
Catalog Number:
AG002H8N
Chemical Name:
9H-Carbazole, 3-iodo-6-nitro-9-tetradecyl-
CAS Number:
188740-67-2
Molecular Formula:
C26H35IN2O2
Molecular Weight:
534.4728
IUPAC Name:
3-iodo-6-nitro-9-tetradecylcarbazole
InChI:
InChI=1S/C26H35IN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-28-25-16-14-21(27)19-23(25)24-20-22(29(30)31)15-17-26(24)28/h14-17,19-20H,2-13,18H2,1H3
InChI Key:
XLHVQLOTQQXJGX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCn1c2ccc(cc2c2c1ccc(c2)I)[N+](=O)[O-]
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.174g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
534.482g/mol
Monoisotopic Mass:
534.174g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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