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143556-19-8 | Benzothiazolium, 3-(1-naphthalenylmethyl)-, chloride
CAS No: 143556-19-8 Catalog No: AG007YSB MDL No:
Product Description
Catalog Number:
AG007YSB
Chemical Name:
Benzothiazolium, 3-(1-naphthalenylmethyl)-, chloride
CAS Number:
143556-19-8
Molecular Formula:
C18H14ClNS
Molecular Weight:
311.8285
IUPAC Name:
3-(naphthalen-1-ylmethyl)-1,3-benzothiazol-3-ium;chloride
InChI:
InChI=1S/C18H14NS.ClH/c1-2-9-16-14(6-1)7-5-8-15(16)12-19-13-20-18-11-4-3-10-17(18)19;/h1-11,13H,12H2;1H/q+1;/p-1
InChI Key:
XFBPSEUQMQCQCN-UHFFFAOYSA-M
SMILES:
c1ccc2c(c1)c(ccc2)C[n+]1csc2c1cccc2.[Cl-]
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.054g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.827g/mol
Monoisotopic Mass:
311.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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