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Home > Nitro Compounds > 1566593-88-1
1566593-88-1 | (2E)-1-(4-ethylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CAS No: 1566593-88-1 Catalog No: AG00JTZ8 MDL No:MFCD00412031
Product Description
Catalog Number:
AG00JTZ8
Chemical Name:
(2E)-1-(4-ethylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CAS Number:
1566593-88-1
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
MDL Number:
MFCD00412031
IUPAC Name:
1-(4-ethylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H15NO3/c1-2-13-6-9-15(10-7-13)17(19)11-8-14-4-3-5-16(12-14)18(20)21/h3-12H,2H2,1H3
InChI Key:
CACQHSYTJLXCBJ-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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