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117343-79-0 | Acetamide, 2,2,2-trichloro-N-(3-chloro-2-propen-1-yl)-N-(phenylmethyl)-
CAS No: 117343-79-0 Catalog No: AG000E5O MDL No:
Product Description
Catalog Number:
AG000E5O
Chemical Name:
Acetamide, 2,2,2-trichloro-N-(3-chloro-2-propen-1-yl)-N-(phenylmethyl)-
CAS Number:
117343-79-0
Molecular Formula:
C12H11Cl4NO
Molecular Weight:
327.0338
IUPAC Name:
N-benzyl-2,2,2-trichloro-N-(3-chloroprop-2-enyl)acetamide
InChI:
InChI=1S/C12H11Cl4NO/c13-7-4-8-17(11(18)12(14,15)16)9-10-5-2-1-3-6-10/h1-7H,8-9H2
InChI Key:
PGMIZCXHSMELJZ-UHFFFAOYSA-N
SMILES:
ClC=CCN(C(=O)C(Cl)(Cl)Cl)Cc1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.957g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.026g/mol
Monoisotopic Mass:
324.959g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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