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798567-87-0 | 1,3-Benzenediamine, 5-iodo-2-methyl-
CAS No: 798567-87-0 Catalog No: AG00555C MDL No:
Product Description
Catalog Number:
AG00555C
Chemical Name:
1,3-Benzenediamine, 5-iodo-2-methyl-
CAS Number:
798567-87-0
Molecular Formula:
C7H9IN2
Molecular Weight:
248.0642
IUPAC Name:
5-iodo-2-methylbenzene-1,3-diamine
InChI:
InChI=1S/C7H9IN2/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,9-10H2,1H3
InChI Key:
RWWJAFGHOWONLG-UHFFFAOYSA-N
SMILES:
Ic1cc(N)c(c(c1)N)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.981g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.067g/mol
Monoisotopic Mass:
247.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| New platforms integrating ethynyl-grafted modules for organogels and mesomorphic superstructures. | Organic letters 20041111 |
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