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179421-14-8 | 2H-Pyran-4-carbonitrile, tetrahydro-4-(3-iodophenyl)-
CAS No: 179421-14-8 Catalog No: AG00HZYC MDL No:
Product Description
Catalog Number:
AG00HZYC
Chemical Name:
2H-Pyran-4-carbonitrile, tetrahydro-4-(3-iodophenyl)-
CAS Number:
179421-14-8
IUPAC Name:
4-(3-iodophenyl)oxane-4-carbonitrile
InChI:
InChI=1S/C12H12INO/c13-11-3-1-2-10(8-11)12(9-14)4-6-15-7-5-12/h1-3,8H,4-7H2
InChI Key:
TTZTXRNGOWNAAP-UHFFFAOYSA-N
Properties
Complexity:
264
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:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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