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15057-32-6 | 1-Propanone, 1-(2-furanyl)-3-[(3-nitrophenyl)amino]-
CAS No: 15057-32-6 Catalog No: AG001MQI MDL No:
Product Description
Catalog Number:
AG001MQI
Chemical Name:
1-Propanone, 1-(2-furanyl)-3-[(3-nitrophenyl)amino]-
CAS Number:
15057-32-6
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
IUPAC Name:
1-(furan-2-yl)-3-(3-nitroanilino)propan-1-one
InChI:
InChI=1S/C13H12N2O4/c16-12(13-5-2-8-19-13)6-7-14-10-3-1-4-11(9-10)15(17)18/h1-5,8-9,14H,6-7H2
InChI Key:
LQTKGGALODUAHL-UHFFFAOYSA-N
SMILES:
O=C(c1ccco1)CCNc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.249g/mol
Monoisotopic Mass:
260.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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