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14273-85-9 | Methyl 4-iodobutanoate
CAS No: 14273-85-9 Catalog No: AG003RVR MDL No:MFCD00674066
Product Description
Catalog Number:
AG003RVR
Chemical Name:
Methyl 4-iodobutanoate
CAS Number:
14273-85-9
Molecular Formula:
C5H9IO2
Molecular Weight:
228.0282
MDL Number:
MFCD00674066
IUPAC Name:
methyl 4-iodobutanoate
InChI:
InChI=1S/C5H9IO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
InChI Key:
NBCIIVXSBPDKOM-UHFFFAOYSA-N
SMILES:
COC(=O)CCCI
Properties
Complexity:
72.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.965g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.029g/mol
Monoisotopic Mass:
227.965g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Identification of stable S-adenosylmethionine (SAM) analogues derivatised with bioorthogonal tags: effect of ligands on the affinity of the E. coli methionine repressor, MetJ, for its operator DNA. | Organic & biomolecular chemistry 20090221 |
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