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Home > Nitro Compounds > 122129-89-9
122129-89-9 | Acetamide, N-[(acetyloxy)(4-nitrophenyl)methyl]-
CAS No: 122129-89-9 Catalog No: AG0016TL MDL No:
Product Description
Catalog Number:
AG0016TL
Chemical Name:
Acetamide, N-[(acetyloxy)(4-nitrophenyl)methyl]-
CAS Number:
122129-89-9
Molecular Formula:
C11H12N2O5
Molecular Weight:
252.2234
IUPAC Name:
[acetamido-(4-nitrophenyl)methyl] acetate
InChI:
InChI=1S/C11H12N2O5/c1-7(14)12-11(18-8(2)15)9-3-5-10(6-4-9)13(16)17/h3-6,11H,1-2H3,(H,12,14)
InChI Key:
DDRCFMPJKMEIJH-UHFFFAOYSA-N
SMILES:
CC(=O)NC(c1ccc(cc1)[N+](=O)[O-])OC(=O)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.226g/mol
Monoisotopic Mass:
252.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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