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Home > Bromides > 1807121-68-1
1807121-68-1 | Benzeneacetonitrile, 3-bromo-2-(trifluoromethyl)-
CAS No: 1807121-68-1 Catalog No: AG00228W MDL No:
Product Description
Catalog Number:
AG00228W
Chemical Name:
Benzeneacetonitrile, 3-bromo-2-(trifluoromethyl)-
CAS Number:
1807121-68-1
Molecular Formula:
C9H5BrF3N
Molecular Weight:
264.0419
IUPAC Name:
2-[3-bromo-2-(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H5BrF3N/c10-7-3-1-2-6(4-5-14)8(7)9(11,12)13/h1-3H,4H2
InChI Key:
LCLAPHLQYQZFAZ-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1C(F)(F)F)Br
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.956g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.045g/mol
Monoisotopic Mass:
262.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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