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1015856-63-9 | Acetamide, 2-chloro-N-[2,6-di(ethyl-1,1,2,2,2-d5)phenyl-3,4,5-d3]-N-(methoxymethyl)-
CAS No: 1015856-63-9 Catalog No: AG0004X3 MDL No:
Product Description
Catalog Number:
AG0004X3
Chemical Name:
Acetamide, 2-chloro-N-[2,6-di(ethyl-1,1,2,2,2-d5)phenyl-3,4,5-d3]-N-(methoxymethyl)-
CAS Number:
1015856-63-9
Molecular Formula:
C14H7ClD13NO2
Molecular Weight:
282.8472
IUPAC Name:
2-chloro-N-(methoxymethyl)-N-[3,4,5-trideuterio-2,6-bis(1,1,2,2,2-pentadeuterioethyl)phenyl]acetamide
InChI:
InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3/i1D3,2D3,4D2,5D2,6D,7D,8D
InChI Key:
XCSGPAVHZFQHGE-PTKGBVOGSA-N
SMILES:
COCN(c1c(c([2H])c(c(c1C(C([2H])([2H])[2H])([2H])[2H])[2H])[2H])C(C([2H])([2H])[2H])([2H])[2H])C(=O)CCl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.2g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
13
Molecular Weight:
282.848g/mol
Monoisotopic Mass:
282.2g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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