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Home > Bromides > 1000576-34-0
1000576-34-0 | 2,4-Dibromo-5-fluoro-6-methylphenylisothiocyanate
CAS No: 1000576-34-0 Catalog No: AG01F2PJ MDL No:MFCD09800765
Product Description
Catalog Number:
AG01F2PJ
Chemical Name:
2,4-Dibromo-5-fluoro-6-methylphenylisothiocyanate
CAS Number:
1000576-34-0
Molecular Formula:
C8H4Br2FNS
Molecular Weight:
324.9955
MDL Number:
MFCD09800765
IUPAC Name:
1,5-dibromo-2-fluoro-4-isothiocyanato-3-methylbenzene
InChI:
InChI=1S/C8H4Br2FNS/c1-4-7(11)5(9)2-6(10)8(4)12-3-13/h2H,1H3
InChI Key:
GJRSNXNDCVDDTP-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Br)cc(c(c1C)F)Br
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.839g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.993g/mol
Monoisotopic Mass:
322.842g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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