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Home > Nitro Compounds > 1164453-04-6
1164453-04-6 | N-(4-Methoxy-2-nitro-phenyl)-3-phenyl-acrylamide
CAS No: 1164453-04-6 Catalog No: AG01F9FM MDL No:
Product Description
Catalog Number:
AG01F9FM
Chemical Name:
N-(4-Methoxy-2-nitro-phenyl)-3-phenyl-acrylamide
CAS Number:
1164453-04-6
Molecular Formula:
C16H14N2O4
Molecular Weight:
298.2934
IUPAC Name:
(E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide
InChI:
InChI=1S/C16H14N2O4/c1-22-13-8-9-14(15(11-13)18(20)21)17-16(19)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,17,19)/b10-7+
InChI Key:
DGHSMVHVDXJBQT-JXMROGBWSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])NC(=O)/C=C/c1ccccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
298.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.298g/mol
Monoisotopic Mass:
298.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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