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Home > Nitro Compounds > 864784-21-4
864784-21-4 | (2E)-3-(4-ethylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS No: 864784-21-4 Catalog No: AG00JU1Y MDL No:MFCD04488234
Product Description
Catalog Number:
AG00JU1Y
Chemical Name:
(2E)-3-(4-ethylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS Number:
864784-21-4
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
MDL Number:
MFCD04488234
IUPAC Name:
(E)-3-(4-ethylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H15NO3/c1-2-13-3-5-14(6-4-13)7-12-17(19)15-8-10-16(11-9-15)18(20)21/h3-12H,2H2,1H3/b12-7+
InChI Key:
RINBGTALYARMPL-KPKJPENVSA-N
SMILES:
CCc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
4.3
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