Home Other Building Blocks 4-Bromo-2-fluorophenylisothiocyanate

4-Bromo-2-fluorophenylisothiocyanate

CAS No.:
81171-71-3
Catalog Number:
AG003KWW
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003KWW
Chemical Name:
4-Bromo-2-fluorophenylisothiocyanate
CAS Number:
81171-71-3
MDL Number:
MFCD02683533
IUPAC Name:
4-bromo-2-fluoro-1-isothiocyanatobenzene
InChI:
InChI=1S/C7H3BrFNS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChI Key:
PWOPDCSAVIMSPX-UHFFFAOYSA-N
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.915g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.07g/mol
Monoisotopic Mass:
230.915g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties