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Home Other Building Blocks Benzene, 2-isocyanato-1,3,5-trimethyl-

Benzene, 2-isocyanato-1,3,5-trimethyl-

CAS No.:
2958-62-5
Catalog Number:
AG002YTH
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
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Purity
Availability
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1g
1 week
United States
$121
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Product Description
Catalog Number:
AG002YTH
Chemical Name:
Benzene, 2-isocyanato-1,3,5-trimethyl-
CAS Number:
2958-62-5
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD00019909
IUPAC Name:
2-isocyanato-1,3,5-trimethylbenzene
InChI:
InChI=1S/C10H11NO/c1-7-4-8(2)10(11-6-12)9(3)5-7/h4-5H,1-3H3
InChI Key:
HJHZRZFONUPQAA-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(C)cc(cc1C)C
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Formation of a germylyne complex: dehydrogenation of a hydrido(hydrogermylene)tungsten complex with mesityl isocyanate. Angewandte Chemie (International ed. in English) 20120319
Properties