200,000+ products from a single source!
sales@angenechem.com
89059-22-3 | Benzothiazolium, 6-chloro-3-(2-ethoxy-2-oxoethyl)-, bromide
CAS No: 89059-22-3 Catalog No: AG00412S MDL No:
Product Description
Catalog Number:
AG00412S
Chemical Name:
Benzothiazolium, 6-chloro-3-(2-ethoxy-2-oxoethyl)-, bromide
CAS Number:
89059-22-3
Molecular Formula:
C11H11BrClNO2S
Molecular Weight:
336.6325
IUPAC Name:
ethyl 2-(6-chloro-1,3-benzothiazol-3-ium-3-yl)acetate;bromide
InChI:
InChI=1S/C11H11ClNO2S.BrH/c1-2-15-11(14)6-13-7-16-10-5-8(12)3-4-9(10)13;/h3-5,7H,2,6H2,1H3;1H/q+1;/p-1
InChI Key:
WKLKMOHCRSMSKB-UHFFFAOYSA-M
SMILES:
CCOC(=O)C[n+]1csc2c1ccc(c2)Cl.[Br-]
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.938g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.628g/mol
Monoisotopic Mass:
334.938g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.