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305800-58-2 | Benzeneacetonitrile, 3-bromo-5-fluoro-
CAS No: 305800-58-2 Catalog No: AG0030L3 MDL No:MFCD09258960
Product Description
Catalog Number:
AG0030L3
Chemical Name:
Benzeneacetonitrile, 3-bromo-5-fluoro-
CAS Number:
305800-58-2
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD09258960
IUPAC Name:
2-(3-bromo-5-fluorophenyl)acetonitrile
InChI:
InChI=1S/C8H5BrFN/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2
InChI Key:
FSKMLBLIAOVQCF-UHFFFAOYSA-N
SMILES:
N#CCc1cc(F)cc(c1)Br
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.959g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.037g/mol
Monoisotopic Mass:
212.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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