Home Other Building Blocks 4-Bromo-2-trifluoromethylphenyl isothiocyanate

4-Bromo-2-trifluoromethylphenyl isothiocyanate

CAS No.:
186589-12-8
Catalog Number:
AG003KXJ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003KXJ
Chemical Name:
4-Bromo-2-trifluoromethylphenyl isothiocyanate
CAS Number:
186589-12-8
MDL Number:
MFCD00013871
IUPAC Name:
4-bromo-1-isocyanato-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3BrF3NO/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H
InChI Key:
UZFHKVBCBXPKKE-UHFFFAOYSA-N
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.935g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.017g/mol
Monoisotopic Mass:
264.935g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties