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Home > Nitro Compounds > 189336-99-0
189336-99-0 | Butanamide, 2-[(2-nitrophenyl)methylene]-3-oxo-
CAS No: 189336-99-0 Catalog No: AG002IC5 MDL No:
Product Description
Catalog Number:
AG002IC5
Chemical Name:
Butanamide, 2-[(2-nitrophenyl)methylene]-3-oxo-
CAS Number:
189336-99-0
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
IUPAC Name:
2-[(2-nitrophenyl)methylidene]-3-oxobutanamide
InChI:
InChI=1S/C11H10N2O4/c1-7(14)9(11(12)15)6-8-4-2-3-5-10(8)13(16)17/h2-6H,1H3,(H2,12,15)
InChI Key:
YROACZFIVLKNPX-UHFFFAOYSA-N
SMILES:
CC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)N
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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