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Home > Nitro Compounds > 64131-74-4
64131-74-4 | 2-[(E)-2-(2-nitrophenyl)vinyl]quinoline
CAS No: 64131-74-4 Catalog No: AG00JH1R MDL No:
Product Description
Catalog Number:
AG00JH1R
Chemical Name:
2-[(E)-2-(2-nitrophenyl)vinyl]quinoline
CAS Number:
64131-74-4
Molecular Formula:
C17H12N2O2
Molecular Weight:
276.2894
IUPAC Name:
2-[2-(2-nitrophenyl)ethenyl]quinoline
InChI:
InChI=1S/C17H12N2O2/c20-19(21)17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12H
InChI Key:
YHBUYTZJYLCAFX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1/C=C/c1ccc2c(n1)cccc2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.295g/mol
Monoisotopic Mass:
276.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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