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82504-06-1 | 3-Iodo-4-methoxybenzonitrile
CAS No: 82504-06-1 Catalog No: AG00G63S MDL No:
Product Description
Catalog Number:
AG00G63S
Chemical Name:
3-Iodo-4-methoxybenzonitrile
CAS Number:
82504-06-1
IUPAC Name:
3-iodo-4-methoxybenzonitrile
InChI:
InChI=1S/C8H6INO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
InChI Key:
DYNJBBWJVQMTNQ-UHFFFAOYSA-N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.046g/mol
Monoisotopic Mass:
258.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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