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89542-88-1 | Benzothiazolium, 6-chloro-3-(1-naphthalenylmethyl)-, bromide
CAS No: 89542-88-1 Catalog No: AG003YLN MDL No:
Product Description
Catalog Number:
AG003YLN
Chemical Name:
Benzothiazolium, 6-chloro-3-(1-naphthalenylmethyl)-, bromide
CAS Number:
89542-88-1
Molecular Formula:
C18H13BrClNS
Molecular Weight:
390.7245
IUPAC Name:
6-chloro-3-(naphthalen-1-ylmethyl)-1,3-benzothiazol-3-ium;bromide
InChI:
InChI=1S/C18H13ClNS.BrH/c19-15-8-9-17-18(10-15)21-12-20(17)11-14-6-3-5-13-4-1-2-7-16(13)14;/h1-10,12H,11H2;1H/q+1;/p-1
InChI Key:
QVWMOKWTFJNJMW-UHFFFAOYSA-M
SMILES:
Clc1ccc2c(c1)sc[n+]2Cc1cccc2c1cccc2.[Br-]
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.964g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.723g/mol
Monoisotopic Mass:
388.964g/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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