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Home > Bromides > 1000577-50-3
1000577-50-3 | 2-Bromo-4-chloro-6-fluorophenyl isothiocyanate
CAS No: 1000577-50-3 Catalog No: AG01F2YX MDL No:MFCD09878105
Product Description
Catalog Number:
AG01F2YX
Chemical Name:
2-Bromo-4-chloro-6-fluorophenyl isothiocyanate
CAS Number:
1000577-50-3
Molecular Formula:
C7H2BrClFNS
Molecular Weight:
266.5179
MDL Number:
MFCD09878105
IUPAC Name:
1-bromo-5-chloro-3-fluoro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H2BrClFNS/c8-5-1-4(9)2-6(10)7(5)11-3-12/h1-2H
InChI Key:
BVGUPECNNRDPLU-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(F)cc(cc1Br)Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.876g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.512g/mol
Monoisotopic Mass:
264.876g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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