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3100-93-4 | Benzene, 1-isocyano-2,4-dimethyl-
CAS No: 3100-93-4 Catalog No: AG0031WT MDL No:
Product Description
Catalog Number:
AG0031WT
Chemical Name:
Benzene, 1-isocyano-2,4-dimethyl-
CAS Number:
3100-93-4
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
IUPAC Name:
1-isocyano-2,4-dimethylbenzene
InChI:
InChI=1S/C9H9N/c1-7-4-5-9(10-3)8(2)6-7/h4-6H,1-2H3
InChI Key:
YFTRHHTUIXPTLJ-UHFFFAOYSA-N
SMILES:
[C-]#[N+]c1ccc(cc1C)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Cleavage of the indium(III) octaethyloxophlorin dimer, {In(III)(OEPO)}2, with Lewis bases. Importance of outer-sphere hydrogen bonding in adduct structures. | Inorganic chemistry 20081201 |
| Influence of ligand polarizability on the reversible binding of O2 by trans-[Rh(X)(XNC)(PPh3)2] (X = Cl, Br, SC6F5, C2Ph; XNC = xylyl isocyanide). Structures and a kinetic study. | Inorganic chemistry 20081006 |
| Ligand structural effects on Cu2S2 bonding and reactivity in side-on disulfido-bridged dicopper complexes. | Inorganic chemistry 20070122 |
| Antimony-antimony bond formation by reductive elimination from a hafnium bis(stibido) complex. | Inorganic chemistry 20061127 |
| Chemistry and electrochemistry of the heterodinuclear complex ClPd(dppm)2PtCl: a M-M' bond providing site selectivity. | Inorganic chemistry 20060206 |
| Rhodium-103 NMR of [Rh(X)(PPh3)3] [X = Cl, N3, NCO, NCS, N(CN)2, NCBPh3, CNBPh3, CN] and derivatives containing CO, isocyanide, pyridine, H2 and O2. Ligand, solvent and temperature effects. | Magnetic resonance in chemistry : MRC 20040901 |
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