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832674-41-6 | (4-formyl-2-iodo-6-methoxyphenoxy)methyl cyanide
CAS No: 832674-41-6 Catalog No: AG00JJFB MDL No:MFCD02257176
Product Description
Catalog Number:
AG00JJFB
Chemical Name:
(4-formyl-2-iodo-6-methoxyphenoxy)methyl cyanide
CAS Number:
832674-41-6
Molecular Formula:
C10H8INO3
Molecular Weight:
317.0799
MDL Number:
MFCD02257176
IUPAC Name:
2-(4-formyl-2-iodo-6-methoxyphenoxy)acetonitrile
InChI:
InChI=1S/C10H8INO3/c1-14-9-5-7(6-13)4-8(11)10(9)15-3-2-12/h4-6H,3H2,1H3
InChI Key:
IDYGCTYLQAKIOH-UHFFFAOYSA-N
SMILES:
N#CCOc1c(I)cc(cc1OC)C=O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.955g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.082g/mol
Monoisotopic Mass:
316.955g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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