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180302-35-6 | Benzonitrile, 5-(bromomethyl)-2-fluoro-
CAS No: 180302-35-6 Catalog No: AG0021VT MDL No:MFCD03094341
Product Description
Catalog Number:
AG0021VT
Chemical Name:
Benzonitrile, 5-(bromomethyl)-2-fluoro-
CAS Number:
180302-35-6
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD03094341
IUPAC Name:
5-(bromomethyl)-2-fluorobenzonitrile
InChI:
InChI=1S/C8H5BrFN/c9-4-6-1-2-8(10)7(3-6)5-11/h1-3H,4H2
InChI Key:
GUUKPGIJZYZERR-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)C#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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