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1000578-20-0 | 1-Bromo-3,4,5-trifluoro-2-isothiocyanatobenzene
CAS No: 1000578-20-0 Catalog No: AG01EQJY MDL No:MFCD09878137
Product Description
Catalog Number:
AG01EQJY
Chemical Name:
1-Bromo-3,4,5-trifluoro-2-isothiocyanatobenzene
CAS Number:
1000578-20-0
Molecular Formula:
C7HBrF3NS
Molecular Weight:
268.0537
MDL Number:
MFCD09878137
IUPAC Name:
1-bromo-3,4,5-trifluoro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7HBrF3NS/c8-3-1-4(9)5(10)6(11)7(3)12-2-13/h1H
InChI Key:
NHOXMRPPKYDMQK-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Br)cc(c(c1F)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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