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374926-10-0 | 1-Naphthalenepropanenitrile,4-iodo-b-oxo-
CAS No: 374926-10-0 Catalog No: AG0079MC MDL No:
Product Description
Catalog Number:
AG0079MC
Chemical Name:
1-Naphthalenepropanenitrile,4-iodo-b-oxo-
CAS Number:
374926-10-0
Molecular Formula:
C13H8INO
Molecular Weight:
321.1132
IUPAC Name:
3-(4-iodonaphthalen-1-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C13H8INO/c14-12-6-5-11(13(16)7-8-15)9-3-1-2-4-10(9)12/h1-6H,7H2
InChI Key:
JJJHQSCNQOMWIA-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(c2c1cccc2)I
Properties
Complexity:
319
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.117g/mol
Monoisotopic Mass:
320.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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