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119170-77-3 | Benzene, 1-[(6-bromohexyl)oxy]-4-[2-(4-nitrophenyl)ethenyl]-
CAS No: 119170-77-3 Catalog No: AG000P5X MDL No:
Product Description
Catalog Number:
AG000P5X
Chemical Name:
Benzene, 1-[(6-bromohexyl)oxy]-4-[2-(4-nitrophenyl)ethenyl]-
CAS Number:
119170-77-3
Molecular Formula:
C20H22BrNO3
Molecular Weight:
404.2976
IUPAC Name:
1-[2-[4-(6-bromohexoxy)phenyl]ethenyl]-4-nitrobenzene
InChI:
InChI=1S/C20H22BrNO3/c21-15-3-1-2-4-16-25-20-13-9-18(10-14-20)6-5-17-7-11-19(12-8-17)22(23)24/h5-14H,1-4,15-16H2
InChI Key:
BNMJAMNPTVNYJS-UHFFFAOYSA-N
SMILES:
BrCCCCCCOc1ccc(cc1)C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.078g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.304g/mol
Monoisotopic Mass:
403.078g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.2
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