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Home > Nitro Compounds > 908107-48-2
908107-48-2 | N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide
CAS No: 908107-48-2 Catalog No: AG00JH44 MDL No:MFCD09063130
Product Description
Catalog Number:
AG00JH44
Chemical Name:
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide
CAS Number:
908107-48-2
Molecular Formula:
C12H16N2O5
Molecular Weight:
268.2658
MDL Number:
MFCD09063130
IUPAC Name:
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide
InChI:
InChI=1S/C12H16N2O5/c1-8(15)13-5-4-9-6-11(18-2)12(19-3)7-10(9)14(16)17/h6-7H,4-5H2,1-3H3,(H,13,15)
InChI Key:
GQNYIUIRUDLJIW-UHFFFAOYSA-N
SMILES:
COc1cc(CCNC(=O)C)c(cc1OC)[N+](=O)[O-]
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:
1.3
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