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Home > Bromides > 1261686-95-6
1261686-95-6 | Benzonitrile, 2-(bromomethyl)-6-fluoro-
CAS No: 1261686-95-6 Catalog No: AG000RY1 MDL No:MFCD18394042
Product Description
Catalog Number:
AG000RY1
Chemical Name:
Benzonitrile, 2-(bromomethyl)-6-fluoro-
CAS Number:
1261686-95-6
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD18394042
IUPAC Name:
2-(bromomethyl)-6-fluorobenzonitrile
InChI:
InChI=1S/C8H5BrFN/c9-4-6-2-1-3-8(10)7(6)5-11/h1-3H,4H2
InChI Key:
CRAVAKDETSEXDE-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1C#N)F
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:
2.3
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