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Home > Bromides > 1246527-18-3
1246527-18-3 | Benzonitrile, 3-(bromomethyl)-2-fluoro-
CAS No: 1246527-18-3 Catalog No: AG000MIF MDL No:MFCD18394043
Product Description
Catalog Number:
AG000MIF
Chemical Name:
Benzonitrile, 3-(bromomethyl)-2-fluoro-
CAS Number:
1246527-18-3
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD18394043
IUPAC Name:
3-(bromomethyl)-2-fluorobenzonitrile
InChI:
InChI=1S/C8H5BrFN/c9-4-6-2-1-3-7(5-11)8(6)10/h1-3H,4H2
InChI Key:
WPLJIURLNNOZJL-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1F)C#N
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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