Home Other Building Blocks 2-Chloro-1-isocyanato-4-methylbenzene

2-Chloro-1-isocyanato-4-methylbenzene

CAS No.:
40398-00-3
Catalog Number:
AG003GXI
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$94
- +
5g
97%
In Stock USA
United States
$369
- +
10g
97%
In Stock USA
United States
$675
- +
25g
97%
In Stock USA
United States
$1244
- +
Product Description
Catalog Number:
AG003GXI
Chemical Name:
2-Chloro-1-isocyanato-4-methylbenzene
CAS Number:
40398-00-3
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD03701592
IUPAC Name:
2-chloro-1-isocyanato-4-methylbenzene
InChI:
InChI=1S/C8H6ClNO/c1-6-2-3-8(10-5-11)7(9)4-6/h2-4H,1H3
InChI Key:
QVCZOTVTRWNPAF-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1Cl)C
EC Number:
254-906-8
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