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113687-28-8 | Benzenamine, N,N-dimethyl-4-[6-(4-nitrophenyl)-1,3,5-hexatrien-1-yl]-
CAS No: 113687-28-8 Catalog No: AG0009BP MDL No:
Product Description
Catalog Number:
AG0009BP
Chemical Name:
Benzenamine, N,N-dimethyl-4-[6-(4-nitrophenyl)-1,3,5-hexatrien-1-yl]-
CAS Number:
113687-28-8
Molecular Formula:
C20H20N2O2
Molecular Weight:
320.3850
IUPAC Name:
N,N-dimethyl-4-[6-(4-nitrophenyl)hexa-1,3,5-trienyl]aniline
InChI:
InChI=1S/C20H20N2O2/c1-21(2)19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(16-12-18)22(23)24/h3-16H,1-2H3
InChI Key:
IMMFXFFNOAJFDY-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C=CC=CC=Cc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.392g/mol
Monoisotopic Mass:
320.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
5.4
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