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698-02-2 | 2-iodo-N,N-dimethylaniline
CAS No: 698-02-2 Catalog No: AG01A194 MDL No:MFCD20229908
Product Description
Catalog Number:
AG01A194
Chemical Name:
2-iodo-N,N-dimethylaniline
CAS Number:
698-02-2
Molecular Formula:
C8H10IN
Molecular Weight:
247.0762
MDL Number:
MFCD20229908
IUPAC Name:
2-iodo-N,N-dimethylaniline
InChI:
InChI=1S/C8H10IN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChI Key:
DDQWSLFKVLTRDN-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1I)C
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.986g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.079g/mol
Monoisotopic Mass:
246.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Meta-metallation of N,N-dimethylaniline: Contrasting direct sodium-mediated zincation with indirect sodiation-dialkylzinc co-complexation. | Beilstein journal of organic chemistry 20110101 |
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