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Home > Nitro Compounds > 188544-09-4
188544-09-4 | 2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]benzamide
CAS No: 188544-09-4 Catalog No: AG00IV6V MDL No:MFCD00170884
Product Description
Catalog Number:
AG00IV6V
Chemical Name:
2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]benzamide
CAS Number:
188544-09-4
Molecular Formula:
C16H13N3O4
Molecular Weight:
311.2921
MDL Number:
MFCD00170884
IUPAC Name:
2-[3-(3-nitrophenyl)prop-2-enoylamino]benzamide
InChI:
InChI=1S/C16H13N3O4/c17-16(21)13-6-1-2-7-14(13)18-15(20)9-8-11-4-3-5-12(10-11)19(22)23/h1-10H,(H2,17,21)(H,18,20)
InChI Key:
CIPQJMMUCYHTME-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1C(=O)N)/C=C/c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.297g/mol
Monoisotopic Mass:
311.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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