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886763-17-3 | Benzeneacetonitrile,2-bromo-5-(trifluoromethoxy)-
CAS No: 886763-17-3 Catalog No: AG0048CC MDL No:
Product Description
Catalog Number:
AG0048CC
Chemical Name:
Benzeneacetonitrile,2-bromo-5-(trifluoromethoxy)-
CAS Number:
886763-17-3
Molecular Formula:
C9H5BrF3NO
Molecular Weight:
280.0413
IUPAC Name:
2-[2-bromo-5-(trifluoromethoxy)phenyl]acetonitrile
InChI:
InChI=1S/C9H5BrF3NO/c10-8-2-1-7(15-9(11,12)13)5-6(8)3-4-14/h1-2,5H,3H2
InChI Key:
AMSZMPJUHOLLSY-UHFFFAOYSA-N
SMILES:
N#CCc1cc(ccc1Br)OC(F)(F)F
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.951g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.044g/mol
Monoisotopic Mass:
278.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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