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20535-57-3 | Benzeneacetonitrile, 3,4-dichloro-α-(2-ethoxyacetyl)-
CAS No: 20535-57-3 Catalog No: AG002A1G MDL No:
Product Description
Catalog Number:
AG002A1G
Chemical Name:
Benzeneacetonitrile, 3,4-dichloro-α-(2-ethoxyacetyl)-
CAS Number:
20535-57-3
Molecular Formula:
C12H11Cl2NO2
Molecular Weight:
272.1272
IUPAC Name:
2-(3,4-dichlorophenyl)-4-ethoxy-3-oxobutanenitrile
InChI:
InChI=1S/C12H11Cl2NO2/c1-2-17-7-12(16)9(6-15)8-3-4-10(13)11(14)5-8/h3-5,9H,2,7H2,1H3
InChI Key:
HSACGLUVQLFTCA-UHFFFAOYSA-N
SMILES:
CCOCC(=O)C(c1ccc(c(c1)Cl)Cl)C#N
NSC Number:
115192
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.125g/mol
Monoisotopic Mass:
271.017g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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