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Home > Nitro Compounds > 263240-80-8
263240-80-8 | (2E)-1-(2-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CAS No: 263240-80-8 Catalog No: AG00JUEO MDL No:MFCD21335196
Product Description
Catalog Number:
AG00JUEO
Chemical Name:
(2E)-1-(2-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CAS Number:
263240-80-8
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
MDL Number:
MFCD21335196
IUPAC Name:
(E)-1-(2-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13NO3/c1-12-5-2-3-8-15(12)16(18)10-9-13-6-4-7-14(11-13)17(19)20/h2-11H,1H3/b10-9+
InChI Key:
IUEXWGXSQOIHEP-MDZDMXLPSA-N
SMILES:
O=C(c1ccccc1C)/C=C/c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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