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610-97-9 | 2-Iodobenzoic Acid Methyl Ester
CAS No: 610-97-9 Catalog No: AG0033D5 MDL No:MFCD00016351
Product Description
Catalog Number:
AG0033D5
Chemical Name:
2-Iodobenzoic Acid Methyl Ester
CAS Number:
610-97-9
Molecular Formula:
C8H7IO2
Molecular Weight:
262.0445
MDL Number:
MFCD00016351
IUPAC Name:
methyl 2-iodobenzoate
InChI:
InChI=1S/C8H7IO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
InChI Key:
BXXLTVBTDZXPTN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1I
EC Number:
210-243-6
NSC Number:
34638
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.046g/mol
Monoisotopic Mass:
261.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| New substituted isocoumarins and Dihydroisocoumarins and their cytotoxic activities. | Scientia pharmaceutica 20110101 |
| Neopentylglycolborylation of ortho-substituted aryl halides catalyzed by NiCl(2)-based mixed-ligand systems. | The Journal of organic chemistry 20100820 |
| Identification of a highly efficient alkylated pincer thioimido-palladium(II) complex as the active catalyst in Negishi coupling. | Chemistry (Weinheim an der Bergstrasse, Germany) 20090101 |
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