9-Ethyl-8-Iodo-6，6-Dimethyl-11-Oxo-6，11-Dihydro-5H-Benzo[B]Carbazole-3-Carbonitrile - ≥98%, high purity , CAS No.1256584-80-1

Item Number

E692211

Grouped product items
SKU	Size	Availability	Price	Qty
E692211-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$126.90	+-
E692211-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$212.90	+-
E692211-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$425.90	+-

Names and Identifiers

IUPAC Name	9-ethyl-8-iodo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
INCHI	InChI=1S/C21H17IN2O/c1-4-12-8-14-15(9-16(12)22)21(2,3)20-18(19(14)25)13-6-5-11(10-23)7-17(13)24-20/h5-9,24H,4H2,1-3H3
InChi Key	IQWNZLQAANHDSH-UHFFFAOYSA-N
Canonical SMILES	CCC1=CC2=C(C=C1I)C(C3=C(C2=O)C4=C(N3)C=C(C=C4)C#N)(C)C
Isomeric SMILES	CCC1=CC2=C(C=C1I)C(C3=C(C2=O)C4=C(N3)C=C(C=C4)C#N)(C)C
PubChem CID	66834374
Molecular Weight	440.28

Chemical and Physical Properties

Molecular Weight	440.300 g/mol
XLogP3	5.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	440.039 Da
Monoisotopic Mass	440.039 Da
Topological Polar Surface Area	56.700 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	608.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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Basic Description