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15866-68-9 | Benzene, 2,4-dichloro-1-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-
CAS No: 15866-68-9 Catalog No: AG001QQ7 MDL No:
Product Description
Catalog Number:
AG001QQ7
Chemical Name:
Benzene, 2,4-dichloro-1-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-
CAS Number:
15866-68-9
Molecular Formula:
C16H11Cl2NO2
Molecular Weight:
320.1700
IUPAC Name:
2,4-dichloro-1-[4-(4-nitrophenyl)buta-1,3-dienyl]benzene
InChI:
InChI=1S/C16H11Cl2NO2/c17-14-8-7-13(16(18)11-14)4-2-1-3-12-5-9-15(10-6-12)19(20)21/h1-11H
InChI Key:
MEJQVOQXTSNJPP-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C=CC=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.017g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.169g/mol
Monoisotopic Mass:
319.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.9
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