Home Halogens Benzene, 4-chloro-1-isocyanato-2-(trifluoromethyl)-

Benzene, 4-chloro-1-isocyanato-2-(trifluoromethyl)-

CAS No.:
16588-69-5
Catalog Number:
AG001WDO
Molecular Formula:
C8H3ClF3NO
Molecular Weight:
221.5637
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Product Description
Catalog Number:
AG001WDO
Chemical Name:
Benzene, 4-chloro-1-isocyanato-2-(trifluoromethyl)-
CAS Number:
16588-69-5
Molecular Formula:
C8H3ClF3NO
Molecular Weight:
221.5637
MDL Number:
MFCD00013873
IUPAC Name:
4-chloro-1-isocyanato-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3ClF3NO/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H
InChI Key:
SBDPJLJFODHSFF-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1C(F)(F)F)Cl
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.986g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.563g/mol
Monoisotopic Mass:
220.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties