Home Other Building Blocks 2-BROMO-4-TRIFLUOROMETHYLPHENYLISOTHIOCYANATE

2-BROMO-4-TRIFLUOROMETHYLPHENYLISOTHIOCYANATE

CAS No.:
688763-22-6
Catalog Number:
AG00FD80
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00FD80
Chemical Name:
2-BROMO-4-TRIFLUOROMETHYLPHENYLISOTHIOCYANATE
CAS Number:
688763-22-6
MDL Number:
MFCD03840357
IUPAC Name:
2-bromo-1-isothiocyanato-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3BrF3NS/c9-6-3-5(8(10,11)12)1-2-7(6)13-4-14/h1-3H
InChI Key:
UMSVAXACZNPHEM-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:
280.912g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.078g/mol
Monoisotopic Mass:
280.912g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties