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261762-94-1 | Benzeneacetonitrile, 2-chloro-6-fluoro-3-methyl-
CAS No: 261762-94-1 Catalog No: AG002S1X MDL No:MFCD01631364
Product Description
Catalog Number:
AG002S1X
Chemical Name:
Benzeneacetonitrile, 2-chloro-6-fluoro-3-methyl-
CAS Number:
261762-94-1
Molecular Formula:
C9H7ClFN
Molecular Weight:
183.6100
MDL Number:
MFCD01631364
IUPAC Name:
2-(2-chloro-6-fluoro-3-methylphenyl)acetonitrile
InChI:
InChI=1S/C9H7ClFN/c1-6-2-3-8(11)7(4-5-12)9(6)10/h2-3H,4H2,1H3
InChI Key:
ZABHQPCMIZIOPU-UHFFFAOYSA-N
SMILES:
N#CCc1c(F)ccc(c1Cl)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.61g/mol
Monoisotopic Mass:
183.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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