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Home > Bromides > 1000574-64-0
1000574-64-0 | 4-Bromo-2,6-difluorophenyl isothiocyanate
CAS No: 1000574-64-0 Catalog No: AG01FBFS MDL No:MFCD00123917
Product Description
Catalog Number:
AG01FBFS
Chemical Name:
4-Bromo-2,6-difluorophenyl isothiocyanate
CAS Number:
1000574-64-0
Molecular Formula:
C7H2BrF2NS
Molecular Weight:
250.0633
MDL Number:
MFCD00123917
IUPAC Name:
5-bromo-1,3-difluoro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H2BrF2NS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChI Key:
DKMIUJJMEGJAHP-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(F)cc(cc1F)Br
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.906g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.061g/mol
Monoisotopic Mass:
248.906g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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