200,000+ products from a single source!
sales@angenechem.com
89542-30-3 | 3-(2-methoxy-2-oxoethyl)-2-methyl-1,3-benzothiazol-3-ium bromide
CAS No: 89542-30-3 Catalog No: AG00401S MDL No:
Product Description
Catalog Number:
AG00401S
Chemical Name:
3-(2-methoxy-2-oxoethyl)-2-methyl-1,3-benzothiazol-3-ium bromide
CAS Number:
89542-30-3
Molecular Formula:
C11H12BrNO2S
Molecular Weight:
302.1875
IUPAC Name:
methyl 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)acetate;bromide
InChI:
InChI=1S/C11H12NO2S.BrH/c1-8-12(7-11(13)14-2)9-5-3-4-6-10(9)15-8;/h3-6H,7H2,1-2H3;1H/q+1;/p-1
InChI Key:
VMIGHPBDEWADCV-UHFFFAOYSA-M
SMILES:
COC(=O)C[n+]1c(C)sc2c1cccc2.[Br-]
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.977g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.186g/mol
Monoisotopic Mass:
300.977g/mol
Rotatable Bond Count:
3
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.