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224032-82-0 | 1-Bromo-3,5-difluoro-2-isothiocyanatobenzene
CAS No: 224032-82-0 Catalog No: AG01EUK1 MDL No:MFCD00123931
Product Description
Catalog Number:
AG01EUK1
Chemical Name:
1-Bromo-3,5-difluoro-2-isothiocyanatobenzene
CAS Number:
224032-82-0
Molecular Formula:
C7H2BrF2NS
Molecular Weight:
250.0633
MDL Number:
MFCD00123931
IUPAC Name:
1-bromo-3,5-difluoro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H2BrF2NS/c8-5-1-4(9)2-6(10)7(5)11-3-12/h1-2H
InChI Key:
MNIJTADQGYWBOG-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(F)cc(cc1Br)F
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.906g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.061g/mol
Monoisotopic Mass:
248.906g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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