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23827-03-4 | 6(5H)-Phenanthridinone,4-iodo-
CAS No: 23827-03-4 Catalog No: AG007N1I MDL No:
Product Description
Catalog Number:
AG007N1I
Chemical Name:
6(5H)-Phenanthridinone,4-iodo-
CAS Number:
23827-03-4
Molecular Formula:
C13H8INO
Molecular Weight:
321.1132
IUPAC Name:
4-iodo-5H-phenanthridin-6-one
InChI:
InChI=1S/C13H8INO/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(16)15-12(9)11/h1-7H,(H,15,16)
InChI Key:
UYYYWHSTBYMSGR-UHFFFAOYSA-N
SMILES:
Ic1cccc2c1[nH]c(=O)c1c2cccc1
NSC Number:
125550
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.965g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.117g/mol
Monoisotopic Mass:
320.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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