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89542-29-0 | Benzothiazolium, 3-(2-methoxy-2-oxoethyl)-, chloride
CAS No: 89542-29-0 Catalog No: AG00401T MDL No:
Product Description
Catalog Number:
AG00401T
Chemical Name:
Benzothiazolium, 3-(2-methoxy-2-oxoethyl)-, chloride
CAS Number:
89542-29-0
Molecular Formula:
C10H10ClNO2S
Molecular Weight:
243.7099
IUPAC Name:
methyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate;chloride
InChI:
InChI=1S/C10H10NO2S.ClH/c1-13-10(12)6-11-7-14-9-5-3-2-4-8(9)11;/h2-5,7H,6H2,1H3;1H/q+1;/p-1
InChI Key:
POZGKZSDBJKHIN-UHFFFAOYSA-M
SMILES:
COC(=O)C[n+]1csc2c1cccc2.[Cl-]
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.705g/mol
Monoisotopic Mass:
243.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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