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Home Other Building Blocks 2,6-Diisopropylphenyl isocyanate

2,6-Diisopropylphenyl isocyanate

CAS No.:
28178-42-9
Catalog Number:
AG003G4Y
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$33
- +
5g
95%
In Stock USA
United States
$61
- +
25g
95%
In Stock USA
United States
$186
- +
100g
95%
In Stock USA
United States
$603
- +
Product Description
Catalog Number:
AG003G4Y
Chemical Name:
2,6-Diisopropylphenyl isocyanate
CAS Number:
28178-42-9
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
MDL Number:
MFCD00008882
IUPAC Name:
2-isocyanato-1,3-di(propan-2-yl)benzene
InChI:
InChI=1S/C13H17NO/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3
InChI Key:
FEUFNKALUGDEMQ-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1N=C=O)C(C)C)C
EC Number:
248-885-4
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Literature
Title Journal
4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor. Journal of medicinal chemistry 20020718
[Disorders of antioxidant defence and their correction in experimental di-isopropyl-phenyl-isocyanate intoxication]. Meditsina truda i promyshlennaia ekologiia 20020101
Properties