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63123-28-4 | 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)vinyl]benzoxazolinium iodide
CAS No: 63123-28-4 Catalog No: AG00ETP3 MDL No:
Product Description
Catalog Number:
AG00ETP3
Chemical Name:
3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)vinyl]benzoxazolinium iodide
CAS Number:
63123-28-4
IUPAC Name:
3-ethyl-2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethenyl]-1,3-benzoxazol-3-ium;iodide
InChI:
InChI=1S/C19H23N2O.HI/c1-5-20-14(3)13-16(15(20)4)11-12-19-21(6-2)17-9-7-8-10-18(17)22-19;/h7-13H,5-6H2,1-4H3;1H/q+1;/p-1
InChI Key:
XWMRSYIAYNAIJX-UHFFFAOYSA-M
EC Number:
263-876-5
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.086g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.31g/mol
Monoisotopic Mass:
422.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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