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741699-04-7 | 3-Ethoxy-4-iodobenzoic acid ethyl ester
CAS No: 741699-04-7 Catalog No: AG00FCEV MDL No:MFCD20484500
Product Description
Catalog Number:
AG00FCEV
Chemical Name:
3-Ethoxy-4-iodobenzoic acid ethyl ester
CAS Number:
741699-04-7
Molecular Formula:
C11H13IO3
Molecular Weight:
320.1236
MDL Number:
MFCD20484500
IUPAC Name:
ethyl 3-ethoxy-4-iodobenzoate
InChI:
InChI=1S/C11H13IO3/c1-3-14-10-7-8(5-6-9(10)12)11(13)15-4-2/h5-7H,3-4H2,1-2H3
InChI Key:
IZNVUVRUUNUWMI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)OCC)I
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.126g/mol
Monoisotopic Mass:
319.991g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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