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Home > Bromides > 1242339-57-6
1242339-57-6 | 5-Bromo-4-fluoro-2-methylphenylisothiocyanate
CAS No: 1242339-57-6 Catalog No: AG01FA9L MDL No:MFCD16817671
Product Description
Catalog Number:
AG01FA9L
Chemical Name:
5-Bromo-4-fluoro-2-methylphenylisothiocyanate
CAS Number:
1242339-57-6
Molecular Formula:
C8H5BrFNS
Molecular Weight:
246.0994
MDL Number:
MFCD16817671
IUPAC Name:
1-bromo-2-fluoro-5-isothiocyanato-4-methylbenzene
InChI:
InChI=1S/C8H5BrFNS/c1-5-2-7(10)6(9)3-8(5)11-4-12/h2-3H,1H3
InChI Key:
BDQDTPRQPDBKKA-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(Br)c(cc1C)F
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.931g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.097g/mol
Monoisotopic Mass:
244.931g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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