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89736-59-4 | Acetamide, N-acetyl-N-(2-chlorooctyl)-
CAS No: 89736-59-4 Catalog No: AG0041P3 MDL No:
Product Description
Catalog Number:
AG0041P3
Chemical Name:
Acetamide, N-acetyl-N-(2-chlorooctyl)-
CAS Number:
89736-59-4
Molecular Formula:
C12H22ClNO2
Molecular Weight:
247.7616
IUPAC Name:
N-acetyl-N-(2-chlorooctyl)acetamide
InChI:
InChI=1S/C12H22ClNO2/c1-4-5-6-7-8-12(13)9-14(10(2)15)11(3)16/h12H,4-9H2,1-3H3
InChI Key:
NLKSEVJDWLHHJL-UHFFFAOYSA-N
SMILES:
CCCCCCC(CN(C(=O)C)C(=O)C)Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.134g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.763g/mol
Monoisotopic Mass:
247.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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