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916792-07-9 | 2-Bromo-4-fluoro-5-methylbenzonitrile
CAS No: 916792-07-9 Catalog No: AG003GO3 MDL No:MFCD07782070
Product Description
Catalog Number:
AG003GO3
Chemical Name:
2-Bromo-4-fluoro-5-methylbenzonitrile
CAS Number:
916792-07-9
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD07782070
IUPAC Name:
2-bromo-4-fluoro-5-methylbenzonitrile
InChI:
InChI=1S/C8H5BrFN/c1-5-2-6(4-11)7(9)3-8(5)10/h2-3H,1H3
InChI Key:
GFLYZSZBOYNJRI-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(cc1Br)F
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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