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Home > Nitro Compounds > 74839-90-0
74839-90-0 | 4-[2-(3-nitrophenyl)ethenyl]quinoline
CAS No: 74839-90-0 Catalog No: AG005SHT MDL No:
Product Description
Catalog Number:
AG005SHT
Chemical Name:
4-[2-(3-nitrophenyl)ethenyl]quinoline
CAS Number:
74839-90-0
Molecular Formula:
C17H12N2O2
Molecular Weight:
276.2894
IUPAC Name:
4-[(E)-2-(3-nitrophenyl)ethenyl]quinoline
InChI:
InChI=1S/C17H12N2O2/c20-19(21)15-5-3-4-13(12-15)8-9-14-10-11-18-17-7-2-1-6-16(14)17/h1-12H/b9-8+
InChI Key:
RJBVOOOQJOQIDP-CMDGGOBGSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C=Cc1ccnc2c1cccc2
NSC Number:
136520
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
4.3
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