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Home > Nitro Compounds > 1031194-95-2
1031194-95-2 | 1-{3-[(3-Nitropyridin-2-yl)oxy]phenyl}ethanone
CAS No: 1031194-95-2 Catalog No: AG00H9YM MDL No:MFCD10627153
Product Description
Catalog Number:
AG00H9YM
Chemical Name:
1-{3-[(3-Nitropyridin-2-yl)oxy]phenyl}ethanone
CAS Number:
1031194-95-2
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
MDL Number:
MFCD10627153
IUPAC Name:
1-[3-(3-nitropyridin-2-yl)oxyphenyl]ethanone
InChI:
InChI=1S/C13H10N2O4/c1-9(16)10-4-2-5-11(8-10)19-13-12(15(17)18)6-3-7-14-13/h2-8H,1H3
InChI Key:
BTFNNWTZICHZSU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1Oc1cccc(c1)C(=O)C
Properties
Complexity:
342
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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