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136721-64-7 | Acetamide, 2-bromo-N-[2-[(triphenylmethyl)thio]ethyl]-
CAS No: 136721-64-7 Catalog No: AG0012A3 MDL No:
Product Description
Catalog Number:
AG0012A3
Chemical Name:
Acetamide, 2-bromo-N-[2-[(triphenylmethyl)thio]ethyl]-
CAS Number:
136721-64-7
Molecular Formula:
C23H22BrNOS
Molecular Weight:
440.3959
IUPAC Name:
2-bromo-N-(2-tritylsulfanylethyl)acetamide
InChI:
InChI=1S/C23H22BrNOS/c24-18-22(26)25-16-17-27-23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18H2,(H,25,26)
InChI Key:
DYLAXLLCKLPULN-UHFFFAOYSA-N
SMILES:
BrCC(=O)NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.061g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
440.399g/mol
Monoisotopic Mass:
439.061g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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