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Home > Bromides > 1379330-93-4
1379330-93-4 | 2-(3-Bromo-6-fluoro-phenoxy)acetonitrile
CAS No: 1379330-93-4 Catalog No: AG01FBZX MDL No:
Product Description
Catalog Number:
AG01FBZX
Chemical Name:
2-(3-Bromo-6-fluoro-phenoxy)acetonitrile
CAS Number:
1379330-93-4
Molecular Formula:
C8H5BrFNO
Molecular Weight:
230.0338
IUPAC Name:
2-(5-bromo-2-fluorophenoxy)acetonitrile
InChI:
InChI=1S/C8H5BrFNO/c9-6-1-2-7(10)8(5-6)12-4-3-11/h1-2,5H,4H2
InChI Key:
OGRPHPBKVDZUAM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1OCC#N)Br
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.954g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.036g/mol
Monoisotopic Mass:
228.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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