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898767-95-8 | 6-(3-IODOPHENYL)-6-OXOHEXANENITRILE
CAS No: 898767-95-8 Catalog No: AG00GX86 MDL No:
Product Description
Catalog Number:
AG00GX86
Chemical Name:
6-(3-IODOPHENYL)-6-OXOHEXANENITRILE
CAS Number:
898767-95-8
IUPAC Name:
6-(3-iodophenyl)-6-oxohexanenitrile
InChI:
InChI=1S/C12H12INO/c13-11-6-4-5-10(9-11)12(15)7-2-1-3-8-14/h4-6,9H,1-3,7H2
InChI Key:
DECOPSDWOKBWGC-UHFFFAOYSA-N
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.138g/mol
Monoisotopic Mass:
312.996g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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