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100117-20-2 | Acetamide, N-(4-butoxy-2,6-dichlorophenyl)-2-chloro-
CAS No: 100117-20-2 Catalog No: AG000103 MDL No:
Product Description
Catalog Number:
AG000103
Chemical Name:
Acetamide, N-(4-butoxy-2,6-dichlorophenyl)-2-chloro-
CAS Number:
100117-20-2
Molecular Formula:
C12H14Cl3NO2
Molecular Weight:
310.6041
IUPAC Name:
N-(4-butoxy-2,6-dichlorophenyl)-2-chloroacetamide
InChI:
InChI=1S/C12H14Cl3NO2/c1-2-3-4-18-8-5-9(14)12(10(15)6-8)16-11(17)7-13/h5-6H,2-4,7H2,1H3,(H,16,17)
InChI Key:
HHYJMQSVCJUKBR-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(Cl)c(c(c1)Cl)NC(=O)CCl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.009g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.599g/mol
Monoisotopic Mass:
309.009g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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