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83968-96-1 | 2-[4,5-dihydro-5-methyl-1-(p-tolyl)-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium chloride
CAS No: 83968-96-1 Catalog No: AG00GPIY MDL No:
Product Description
Catalog Number:
AG00GPIY
Chemical Name:
2-[4,5-dihydro-5-methyl-1-(p-tolyl)-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium chloride
CAS Number:
83968-96-1
IUPAC Name:
1,3,3-trimethyl-2-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]indol-1-ium;chloride
InChI:
InChI=1S/C22H26N3.ClH/c1-15-10-12-17(13-11-15)25-16(2)14-19(23-25)21-22(3,4)18-8-6-7-9-20(18)24(21)5;/h6-13,16H,14H2,1-5H3;1H/q+1;/p-1
InChI Key:
BFYXVYYYCHKGQC-UHFFFAOYSA-M
EC Number:
281-574-1
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.182g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.921g/mol
Monoisotopic Mass:
367.182g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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