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98484-29-8 | Hexanenitrile, 6-iodo-
CAS No: 98484-29-8 Catalog No: AG006RX3 MDL No:
Product Description
Catalog Number:
AG006RX3
Chemical Name:
Hexanenitrile, 6-iodo-
CAS Number:
98484-29-8
Molecular Formula:
C6H10IN
Molecular Weight:
223.0548
IUPAC Name:
6-iodohexanenitrile
InChI:
InChI=1S/C6H10IN/c7-5-3-1-2-4-6-8/h1-5H2
InChI Key:
SZHVNJSQTANXKD-UHFFFAOYSA-N
SMILES:
ICCCCCC#N
Properties
Complexity:
81.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.986g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.057g/mol
Monoisotopic Mass:
222.986g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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