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75279-56-0 | 2-(2-Chloro-4-fluorophenyl)acetonitrile
CAS No: 75279-56-0 Catalog No: AG003J83 MDL No:MFCD00236029
Product Description
Catalog Number:
AG003J83
Chemical Name:
2-(2-Chloro-4-fluorophenyl)acetonitrile
CAS Number:
75279-56-0
Molecular Formula:
C8H5ClFN
Molecular Weight:
169.5834
MDL Number:
MFCD00236029
IUPAC Name:
2-(2-chloro-4-fluorophenyl)acetonitrile
InChI:
InChI=1S/C8H5ClFN/c9-8-5-7(10)2-1-6(8)3-4-11/h1-2,5H,3H2
InChI Key:
GSMCLMKFBYLWRP-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1Cl)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:
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:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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