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Home > Nitro Compounds > 821765-69-9
821765-69-9 | Oxiranecarboxamide, N-(3-ethyl-4-nitrophenyl)-2-methyl-
CAS No: 821765-69-9 Catalog No: AG0050ZD MDL No:
Product Description
Catalog Number:
AG0050ZD
Chemical Name:
Oxiranecarboxamide, N-(3-ethyl-4-nitrophenyl)-2-methyl-
CAS Number:
821765-69-9
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
IUPAC Name:
N-(3-ethyl-4-nitrophenyl)-2-methyloxirane-2-carboxamide
InChI:
InChI=1S/C12H14N2O4/c1-3-8-6-9(4-5-10(8)14(16)17)13-11(15)12(2)7-18-12/h4-6H,3,7H2,1-2H3,(H,13,15)
InChI Key:
KIEWVZVKGVBCAF-UHFFFAOYSA-N
SMILES:
CCc1cc(ccc1[N+](=O)[O-])NC(=O)C1(C)CO1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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