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Home > Nitro Compounds > 821765-17-7
821765-17-7 | Oxiranecarboxamide, 2-methyl-N-(2-methyl-3-nitrophenyl)-
CAS No: 821765-17-7 Catalog No: AG0059WM MDL No:
Product Description
Catalog Number:
AG0059WM
Chemical Name:
Oxiranecarboxamide, 2-methyl-N-(2-methyl-3-nitrophenyl)-
CAS Number:
821765-17-7
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
IUPAC Name:
2-methyl-N-(2-methyl-3-nitrophenyl)oxirane-2-carboxamide
InChI:
InChI=1S/C11H12N2O4/c1-7-8(4-3-5-9(7)13(15)16)12-10(14)11(2)6-17-11/h3-5H,6H2,1-2H3,(H,12,14)
InChI Key:
PJGFOXGRPODDQA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C)NC(=O)C1(C)CO1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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