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1365969-38-5 | 5-Chloro-3-fluoro-2-methylbenzonitrile
CAS No: 1365969-38-5 Catalog No: AG01FCO2 MDL No:MFCD21602114
Product Description
Catalog Number:
AG01FCO2
Chemical Name:
5-Chloro-3-fluoro-2-methylbenzonitrile
CAS Number:
1365969-38-5
Molecular Formula:
C8H5ClFN
Molecular Weight:
169.5834
MDL Number:
MFCD21602114
IUPAC Name:
5-chloro-3-fluoro-2-methylbenzonitrile
InChI:
InChI=1S/C8H5ClFN/c1-5-6(4-11)2-7(9)3-8(5)10/h2-3H,1H3
InChI Key:
LXWOEHXVCCYJFI-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)cc(c1C)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:
169.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.583g/mol
Monoisotopic Mass:
169.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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