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1256584-80-1 | 5H-Benzo[b]carbazole-3-carbonitrile, 9-ethyl-6,11-dihydro-8-iodo-6,6-dimethyl-11-oxo-
CAS No: 1256584-80-1 Catalog No: AG000OAH MDL No:MFCD22124656
Product Description
Catalog Number:
AG000OAH
Chemical Name:
5H-Benzo[b]carbazole-3-carbonitrile, 9-ethyl-6,11-dihydro-8-iodo-6,6-dimethyl-11-oxo-
CAS Number:
1256584-80-1
Molecular Formula:
C21H17IN2O
Molecular Weight:
440.2769
MDL Number:
MFCD22124656
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
SMILES:
N#Cc1ccc2c(c1)[nH]c1c2C(=O)c2c(C1(C)C)cc(c(c2)CC)I
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.039g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
440.284g/mol
Monoisotopic Mass:
440.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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