Home Halogens 2-chloro-4-isocyanato-1-(trifluoromethoxy)benzene

2-chloro-4-isocyanato-1-(trifluoromethoxy)benzene

CAS No.:
40275-96-5
Catalog Number:
AG01CACX
Molecular Formula:
C8H3ClF3NO2
Molecular Weight:
237.5631
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Product Description
Catalog Number:
AG01CACX
Chemical Name:
2-chloro-4-isocyanato-1-(trifluoromethoxy)benzene
CAS Number:
40275-96-5
Molecular Formula:
C8H3ClF3NO2
Molecular Weight:
237.5631
MDL Number:
MFCD18393887
IUPAC Name:
2-chloro-4-isocyanato-1-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H3ClF3NO2/c9-6-3-5(13-4-14)1-2-7(6)15-8(10,11)12/h1-3H
InChI Key:
QWXAYHAPQNMAKI-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1)Cl)OC(F)(F)F
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.98g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.562g/mol
Monoisotopic Mass:
236.98g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties