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86879-84-7 | Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, perchlorate
CAS No: 86879-84-7 Catalog No: AG008EKC MDL No:
Product Description
Catalog Number:
AG008EKC
Chemical Name:
Naphtho[1,2-d]thiazolium, 1-ethyl-2-methyl-, perchlorate
CAS Number:
86879-84-7
Molecular Formula:
C14H14ClNO4S
Molecular Weight:
327.7833
IUPAC Name:
1-ethyl-2-methylbenzo[e][1,3]benzothiazol-1-ium;perchlorate
InChI:
InChI=1S/C14H14NS.ClHO4/c1-3-15-10(2)16-13-9-8-11-6-4-5-7-12(11)14(13)15;2-1(3,4)5/h4-9H,3H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
RAFLRQGRYVCREL-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CC[n+]1c(C)sc2c1c1ccccc1cc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.033g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.779g/mol
Monoisotopic Mass:
327.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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