Home Other Building Blocks 2,3-Dimethylphenyl isocyanate

2,3-Dimethylphenyl isocyanate

CAS No.:
1591-99-7
Catalog Number:
AG001QH7
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$75
- +
10g
97%
In Stock USA
United States
$144
- +
25g
97%
In Stock USA
United States
$225
- +
100g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG001QH7
Chemical Name:
2,3-Dimethylphenyl isocyanate
CAS Number:
1591-99-7
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00013851
IUPAC Name:
1-isocyanato-2,3-dimethylbenzene
InChI:
InChI=1S/C9H9NO/c1-7-4-3-5-9(8(7)2)10-6-11/h3-5H,1-2H3
InChI Key:
KNHJIEOCVVIBIV-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1C)N=C=O
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties