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Home > Nitro Compounds > 65168-11-8
65168-11-8 | 1-methyl-4-[2-(3-nitrophenyl)vinyl]cinnolinium toluene-p-sulphonate
CAS No: 65168-11-8 Catalog No: AG00F7EX MDL No:
Product Description
Catalog Number:
AG00F7EX
Chemical Name:
1-methyl-4-[2-(3-nitrophenyl)vinyl]cinnolinium toluene-p-sulphonate
CAS Number:
65168-11-8
IUPAC Name:
4-methylbenzenesulfonate;1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]cinnolin-1-ium
InChI:
InChI=1S/C17H14N3O2.C7H8O3S/c1-19-17-8-3-2-7-16(17)14(12-18-19)10-9-13-5-4-6-15(11-13)20(21)22;1-6-2-4-7(5-3-6)11(8,9)10/h2-12H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b10-9+;
InChI Key:
IQPKZDLCDCFIOS-RRABGKBLSA-M
EC Number:
265-588-5
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
463.12g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
463.508g/mol
Monoisotopic Mass:
463.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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