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1829-28-3 | Benzoic acid, 2-iodo-, ethyl ester
CAS No: 1829-28-3 Catalog No: AG002489 MDL No:MFCD00051796
Product Description
Catalog Number:
AG002489
Chemical Name:
Benzoic acid, 2-iodo-, ethyl ester
CAS Number:
1829-28-3
Molecular Formula:
C9H9IO2
Molecular Weight:
276.0710
MDL Number:
MFCD00051796
IUPAC Name:
ethyl 2-iodobenzoate
InChI:
InChI=1S/C9H9IO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChI Key:
QOUFDDUDXYJWHV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1I
EC Number:
605-985-6
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.073g/mol
Monoisotopic Mass:
275.965g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Acceleration of reductive elimination of [Ar-Pd-C(sp3)] by a phosphine/electron-deficient olefin ligand: a kinetic investigation. | Chemistry (Weinheim an der Bergstrasse, Germany) 20090101 |
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