200,000+ products from a single source!
sales@angenechem.com
13947-21-2 | 1,2-Benzisothiazol-3(2H)-one, 2-(chloromethyl)-, 1,1-dioxide
CAS No: 13947-21-2 Catalog No: AG001B2X MDL No:MFCD00661186
Product Description
Catalog Number:
AG001B2X
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-(chloromethyl)-, 1,1-dioxide
CAS Number:
13947-21-2
Molecular Formula:
C8H6ClNO3S
Molecular Weight:
231.6561
MDL Number:
MFCD00661186
IUPAC Name:
2-(chloromethyl)-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C8H6ClNO3S/c9-5-10-8(11)6-3-1-2-4-7(6)14(10,12)13/h1-4H,5H2
InChI Key:
RFAHYFCQZDZXLP-UHFFFAOYSA-N
SMILES:
ClCN1C(=O)c2c(S1(=O)=O)cccc2
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.65g/mol
Monoisotopic Mass:
230.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.