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114119-30-1 | 4-Quinolinecarbonyl chloride, 7-chloro-2-[2-(5-nitro-2-furanyl)ethenyl]-
CAS No: 114119-30-1 Catalog No: AG000AM6 MDL No:
Product Description
Catalog Number:
AG000AM6
Chemical Name:
4-Quinolinecarbonyl chloride, 7-chloro-2-[2-(5-nitro-2-furanyl)ethenyl]-
CAS Number:
114119-30-1
Molecular Formula:
C16H8Cl2N2O4
Molecular Weight:
363.1517
IUPAC Name:
7-chloro-2-[2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carbonyl chloride
InChI:
InChI=1S/C16H8Cl2N2O4/c17-9-1-5-12-13(16(18)21)8-10(19-14(12)7-9)2-3-11-4-6-15(24-11)20(22)23/h1-8H
InChI Key:
JXBKCUGNKMLTEV-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc(cc2C(=O)Cl)C=Cc1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.986g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.15g/mol
Monoisotopic Mass:
361.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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