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1234615-80-5 | 2-Pyridineacetic acid, 5-iodo-, ethyl ester
CAS No: 1234615-80-5 Catalog No: AG000KLR MDL No:MFCD23105807
Product Description
Catalog Number:
AG000KLR
Chemical Name:
2-Pyridineacetic acid, 5-iodo-, ethyl ester
CAS Number:
1234615-80-5
Molecular Formula:
C9H10INO2
Molecular Weight:
291.0857
MDL Number:
MFCD23105807
IUPAC Name:
ethyl 2-(5-iodopyridin-2-yl)acetate
InChI:
InChI=1S/C9H10INO2/c1-2-13-9(12)5-8-4-3-7(10)6-11-8/h3-4,6H,2,5H2,1H3
InChI Key:
BUIDYAAUCLLTAO-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(cn1)I
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.088g/mol
Monoisotopic Mass:
290.976g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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