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898767-97-0 | 7-(3-IODOPHENYL)-7-OXOHEPTANENITRILE
CAS No: 898767-97-0 Catalog No: AG00GX0E MDL No:
Product Description
Catalog Number:
AG00GX0E
Chemical Name:
7-(3-IODOPHENYL)-7-OXOHEPTANENITRILE
CAS Number:
898767-97-0
IUPAC Name:
7-(3-iodophenyl)-7-oxoheptanenitrile
InChI:
InChI=1S/C13H14INO/c14-12-7-5-6-11(10-12)13(16)8-3-1-2-4-9-15/h5-7,10H,1-4,8H2
InChI Key:
SMYZZJPQTJZEGC-UHFFFAOYSA-N
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.165g/mol
Monoisotopic Mass:
327.012g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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