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Home > Indoles and Oxindole > 75528-58-4
75528-58-4 | Benz[cd]indol-5(1H)-one, 1-methyl-2-phenyl-
CAS No: 75528-58-4 Catalog No: AG005WVJ MDL No:
Product Description
Catalog Number:
AG005WVJ
Chemical Name:
Benz[cd]indol-5(1H)-one, 1-methyl-2-phenyl-
CAS Number:
75528-58-4
Molecular Formula:
C18H13NO
Molecular Weight:
259.3019
IUPAC Name:
1-methyl-2-phenylbenzo[cd]indol-5-one
InChI:
InChI=1S/C18H13NO/c1-19-15-9-5-8-13-16(20)11-10-14(17(13)15)18(19)12-6-3-2-4-7-12/h2-11H,1H3
InChI Key:
AUKAWLIIKXCDLN-UHFFFAOYSA-N
SMILES:
Cn1c(c2ccccc2)c2c3c1cccc3c(=O)cc2
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.308g/mol
Monoisotopic Mass:
259.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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