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Home > Nitro Compounds > 88441-00-3
88441-00-3 | Acetamide, N-[2-(2,5-dimethoxy-4-nitrophenyl)ethyl]-
CAS No: 88441-00-3 Catalog No: AG004JYQ MDL No:
Product Description
Catalog Number:
AG004JYQ
Chemical Name:
Acetamide, N-[2-(2,5-dimethoxy-4-nitrophenyl)ethyl]-
CAS Number:
88441-00-3
Molecular Formula:
C12H16N2O5
Molecular Weight:
268.2658
IUPAC Name:
N-[2-(2,5-dimethoxy-4-nitrophenyl)ethyl]acetamide
InChI:
InChI=1S/C12H16N2O5/c1-8(15)13-5-4-9-6-12(19-3)10(14(16)17)7-11(9)18-2/h6-7H,4-5H2,1-3H3,(H,13,15)
InChI Key:
WOHYPMFQGODEHI-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1CCNC(=O)C)OC
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.269g/mol
Monoisotopic Mass:
268.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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