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832674-28-9 | (2-ethoxy-4-formyl-6-iodophenoxy)acetonitrile
CAS No: 832674-28-9 Catalog No: AG00JKDQ MDL No:MFCD02257241
Product Description
Catalog Number:
AG00JKDQ
Chemical Name:
(2-ethoxy-4-formyl-6-iodophenoxy)acetonitrile
CAS Number:
832674-28-9
Molecular Formula:
C11H10INO3
Molecular Weight:
331.1065
MDL Number:
MFCD02257241
IUPAC Name:
2-(2-ethoxy-4-formyl-6-iodophenoxy)acetonitrile
InChI:
InChI=1S/C11H10INO3/c1-2-15-10-6-8(7-14)5-9(12)11(10)16-4-3-13/h5-7H,2,4H2,1H3
InChI Key:
FIJVHNGGJOCDQD-UHFFFAOYSA-N
SMILES:
N#CCOc1c(I)cc(cc1OCC)C=O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.971g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.109g/mol
Monoisotopic Mass:
330.971g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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