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Home > Bromides > 1255207-47-6
1255207-47-6 | Benzonitrile, 3-bromo-6-fluoro-2-methyl-
CAS No: 1255207-47-6 Catalog No: AG000NSZ MDL No:
Product Description
Catalog Number:
AG000NSZ
Chemical Name:
Benzonitrile, 3-bromo-6-fluoro-2-methyl-
CAS Number:
1255207-47-6
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
IUPAC Name:
3-bromo-6-fluoro-2-methylbenzonitrile
InChI:
InChI=1S/C8H5BrFN/c1-5-6(4-11)8(10)3-2-7(5)9/h2-3H,1H3
InChI Key:
UMWADFWBCUFDLC-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)ccc(c1C)Br
Properties
Complexity:
186
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:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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