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114897-91-5 | Benzeneacetonitrile, 4-bromo-2-fluoro-
CAS No: 114897-91-5 Catalog No: AG000FE9 MDL No:MFCD07368653
Product Description
Catalog Number:
AG000FE9
Chemical Name:
Benzeneacetonitrile, 4-bromo-2-fluoro-
CAS Number:
114897-91-5
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD07368653
IUPAC Name:
2-(4-bromo-2-fluorophenyl)acetonitrile
InChI:
InChI=1S/C8H5BrFN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2
InChI Key:
QLASQEZPJFNZQC-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1F)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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