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Home > Nitro Compounds > 1415719-62-8
1415719-62-8 | 1-{4-[(3-Nitropyridin-2-yl)oxy]phenyl}ethanone
CAS No: 1415719-62-8 Catalog No: AG00HW2H MDL No:MFCD22689479
Product Description
Catalog Number:
AG00HW2H
Chemical Name:
1-{4-[(3-Nitropyridin-2-yl)oxy]phenyl}ethanone
CAS Number:
1415719-62-8
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
MDL Number:
MFCD22689479
IUPAC Name:
1-[4-(3-nitropyridin-2-yl)oxyphenyl]ethanone
InChI:
InChI=1S/C13H10N2O4/c1-9(16)10-4-6-11(7-5-10)19-13-12(15(17)18)3-2-8-14-13/h2-8H,1H3
InChI Key:
GUTWCIMUKXSNMF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1Oc1ccc(cc1)C(=O)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.233g/mol
Monoisotopic Mass:
258.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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