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Home > Nitro Compounds > 82131-87-1
82131-87-1 | 8-((2-NITROPHENYL)METHOXY)QUINOLINE
CAS No: 82131-87-1 Catalog No: AG0051I0 MDL No:
Product Description
Catalog Number:
AG0051I0
Chemical Name:
8-((2-NITROPHENYL)METHOXY)QUINOLINE
CAS Number:
82131-87-1
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
IUPAC Name:
8-[(2-nitrophenyl)methoxy]quinoline
InChI:
InChI=1S/C16H12N2O3/c19-18(20)14-8-2-1-5-13(14)11-21-15-9-3-6-12-7-4-10-17-16(12)15/h1-10H,11H2
InChI Key:
DMLVEQQZVAXREO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1COc1cccc2c1nccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.283g/mol
Monoisotopic Mass:
280.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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