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Home > Fluorides > 189878-55-5
189878-55-5 | 5-Heptenenitrile, 4,4-difluoro-6-iodo-7-(1-oxopropoxy)-
CAS No: 189878-55-5 Catalog No: AG002E2I MDL No:
Product Description
Catalog Number:
AG002E2I
Chemical Name:
5-Heptenenitrile, 4,4-difluoro-6-iodo-7-(1-oxopropoxy)-
CAS Number:
189878-55-5
Molecular Formula:
C10H12F2INO2
Molecular Weight:
343.1091
IUPAC Name:
(6-cyano-4,4-difluoro-2-iodohex-2-enyl) propanoate
InChI:
InChI=1S/C10H12F2INO2/c1-2-9(15)16-7-8(13)6-10(11,12)4-3-5-14/h6H,2-4,7H2,1H3
InChI Key:
ZUDBJFWFYGVDNO-UHFFFAOYSA-N
SMILES:
CCC(=O)OCC(=CC(CCC#N)(F)F)I
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.988g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.112g/mol
Monoisotopic Mass:
342.988g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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