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Home > Nitro Compounds > 82571-94-6
82571-94-6 | 4-METHOXY-3-NITROPHENYL PHENYL KETONE
CAS No: 82571-94-6 Catalog No: AG004XU9 MDL No:
Product Description
Catalog Number:
AG004XU9
Chemical Name:
4-METHOXY-3-NITROPHENYL PHENYL KETONE
CAS Number:
82571-94-6
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
IUPAC Name:
(4-methoxy-3-nitrophenyl)-phenylmethanone
InChI:
InChI=1S/C14H11NO4/c1-19-13-8-7-11(9-12(13)15(17)18)14(16)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
PDAVXJYHYUUFEY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])C(=O)c1ccccc1
EC Number:
279-997-1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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