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Home > Bromides > 1269493-45-9
1269493-45-9 | Benzonitrile, 5-bromo-2-fluoro-4-methyl-
CAS No: 1269493-45-9 Catalog No: AG000WGV MDL No:MFCD18452117
Product Description
Catalog Number:
AG000WGV
Chemical Name:
Benzonitrile, 5-bromo-2-fluoro-4-methyl-
CAS Number:
1269493-45-9
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD18452117
IUPAC Name:
5-bromo-2-fluoro-4-methylbenzonitrile
InChI:
InChI=1S/C8H5BrFN/c1-5-2-8(10)6(4-11)3-7(5)9/h2-3H,1H3
InChI Key:
QTPIMXBTXKQSFZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)c(cc1F)C
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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