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58432-84-1 | 3,4-DiMethoxy-6-iodophenylacetonitrile
CAS No: 58432-84-1 Catalog No: AG00EEXK MDL No:
Product Description
Catalog Number:
AG00EEXK
Chemical Name:
3,4-DiMethoxy-6-iodophenylacetonitrile
CAS Number:
58432-84-1
Molecular Formula:
C10H10INO2
Molecular Weight:
303.0964
IUPAC Name:
2-(2-iodo-4,5-dimethoxyphenyl)acetonitrile
InChI:
InChI=1S/C10H10INO2/c1-13-9-5-7(3-4-12)8(11)6-10(9)14-2/h5-6H,3H2,1-2H3
InChI Key:
AJKWCXOMVYKAEI-UHFFFAOYSA-N
SMILES:
N#CCc1cc(OC)c(cc1I)OC
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.099g/mol
Monoisotopic Mass:
302.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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