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103604-48-4 | 1-Naphthalenecarbonitrile,5-iodo-6-methoxy-
CAS No: 103604-48-4 Catalog No: AG007XB6 MDL No:
Product Description
Catalog Number:
AG007XB6
Chemical Name:
1-Naphthalenecarbonitrile,5-iodo-6-methoxy-
CAS Number:
103604-48-4
Molecular Formula:
C12H8INO
Molecular Weight:
309.1025
IUPAC Name:
5-iodo-6-methoxynaphthalene-1-carbonitrile
InChI:
InChI=1S/C12H8INO/c1-15-11-6-5-9-8(7-14)3-2-4-10(9)12(11)13/h2-6H,1H3
InChI Key:
DHMJKHNLPGQGDX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1I)cccc2C#N
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.965g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.106g/mol
Monoisotopic Mass:
308.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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