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

2-Chloro-5-methylphenyl isocyanate

CAS No.:
40398-03-6
Catalog Number:
AG003GZ7
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$100
- +
25g
97%
In Stock USA
United States
$325
- +
100g
97%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG003GZ7
Chemical Name:
2-Chloro-5-methylphenyl isocyanate
CAS Number:
40398-03-6
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD01863693
IUPAC Name:
1-chloro-2-isocyanato-4-methylbenzene
InChI:
InChI=1S/C8H6ClNO/c1-6-2-3-7(9)8(4-6)10-5-11/h2-4H,1H3
InChI Key:
VLYGFJNRCFKJOB-UHFFFAOYSA-N
SMILES:
Cc1cc(N=C=O)c(cc1)Cl
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties