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Home > Nitro Compounds > 696607-18-8
696607-18-8 | N-{2-[(5-nitroquinolin-8-yl)oxy]ethyl}acetamide
CAS No: 696607-18-8 Catalog No: AG00JH53 MDL No:MFCD05854566
Product Description
Catalog Number:
AG00JH53
Chemical Name:
N-{2-[(5-nitroquinolin-8-yl)oxy]ethyl}acetamide
CAS Number:
696607-18-8
Molecular Formula:
C13H13N3O4
Molecular Weight:
275.2600
MDL Number:
MFCD05854566
IUPAC Name:
N-[2-(5-nitroquinolin-8-yl)oxyethyl]acetamide
InChI:
InChI=1S/C13H13N3O4/c1-9(17)14-7-8-20-12-5-4-11(16(18)19)10-3-2-6-15-13(10)12/h2-6H,7-8H2,1H3,(H,14,17)
InChI Key:
XLDGYVUAGMXEHN-UHFFFAOYSA-N
SMILES:
CC(=O)NCCOc1ccc(c2c1nccc2)[N+](=O)[O-]
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.264g/mol
Monoisotopic Mass:
275.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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