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Home > Bromides > 1000577-32-1
1000577-32-1 | 2-Bromo-3,4,5-trifluorophenylisothiocyanate
CAS No: 1000577-32-1 Catalog No: AG01F36L MDL No:MFCD09800796
Product Description
Catalog Number:
AG01F36L
Chemical Name:
2-Bromo-3,4,5-trifluorophenylisothiocyanate
CAS Number:
1000577-32-1
Molecular Formula:
C7HBrF3NS
Molecular Weight:
268.0537
MDL Number:
MFCD09800796
IUPAC Name:
4-bromo-1,2,3-trifluoro-5-isothiocyanatobenzene
InChI:
InChI=1S/C7HBrF3NS/c8-5-4(12-2-13)1-3(9)6(10)7(5)11/h1H
InChI Key:
FCCJBVNBBQITKQ-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(F)c(c(c1Br)F)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.897g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.051g/mol
Monoisotopic Mass:
266.897g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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