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141111-06-0 | Benzonitrile, 2,3,5,6-tetrachloro-4-(1,1-dimethylethyl)-
CAS No: 141111-06-0 Catalog No: AG001FWY MDL No:
Product Description
Catalog Number:
AG001FWY
Chemical Name:
Benzonitrile, 2,3,5,6-tetrachloro-4-(1,1-dimethylethyl)-
CAS Number:
141111-06-0
Molecular Formula:
C11H9Cl4N
Molecular Weight:
297.0079
IUPAC Name:
4-tert-butyl-2,3,5,6-tetrachlorobenzonitrile
InChI:
InChI=1S/C11H9Cl4N/c1-11(2,3)6-9(14)7(12)5(4-16)8(13)10(6)15/h1-3H3
InChI Key:
DTMNAASEVRHHPY-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)C(C)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.946g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297g/mol
Monoisotopic Mass:
294.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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