Home Other Building Blocks 2-Methoxy-5-methylphenyl isocyanate

2-Methoxy-5-methylphenyl isocyanate

CAS No.:
59741-04-7
Catalog Number:
AG003HJB
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$48
- +
5g
98%(GC)
In Stock USA
United States
$102
- +
25g
98%(GC)
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG003HJB
Chemical Name:
2-Methoxy-5-methylphenyl isocyanate
CAS Number:
59741-04-7
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00013869
IUPAC Name:
2-isocyanato-1-methoxy-4-methylbenzene
InChI:
InChI=1S/C9H9NO2/c1-7-3-4-9(12-2)8(5-7)10-6-11/h3-5H,1-2H3
InChI Key:
IDOHLSFNBKNRRJ-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(C)ccc1OC
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties