Home Other Building Blocks 4-Chloro-6-methyl-m-phenylene diisocyanate

4-Chloro-6-methyl-m-phenylene diisocyanate

CAS No.:
15166-26-4
Catalog Number:
AG0033ZP
Molecular Formula:
C9H5ClN2O2
Molecular Weight:
208.6012
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0033ZP
Chemical Name:
4-Chloro-6-methyl-m-phenylene diisocyanate
CAS Number:
15166-26-4
Molecular Formula:
C9H5ClN2O2
Molecular Weight:
208.6012
MDL Number:
MFCD00013846
IUPAC Name:
1-chloro-2,4-diisocyanato-5-methylbenzene
InChI:
InChI=1S/C9H5ClN2O2/c1-6-2-7(10)9(12-5-14)3-8(6)11-4-13/h2-3H,1H3
InChI Key:
AULVDVFFHZBVDO-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(N=C=O)c(cc1C)Cl
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.004g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.601g/mol
Monoisotopic Mass:
208.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties