200,000+ products from a single source!
sales@angenechem.com
88095-64-1 | 4-Thiazolidinecarboxylic acid, 3-(dichloroacetyl)-, methyl ester
CAS No: 88095-64-1 Catalog No: AG004J2H MDL No:
Product Description
Catalog Number:
AG004J2H
Chemical Name:
4-Thiazolidinecarboxylic acid, 3-(dichloroacetyl)-, methyl ester
CAS Number:
88095-64-1
Molecular Formula:
C7H9Cl2NO3S
Molecular Weight:
258.1223
IUPAC Name:
methyl 3-(2,2-dichloroacetyl)-1,3-thiazolidine-4-carboxylate
InChI:
InChI=1S/C7H9Cl2NO3S/c1-13-7(12)4-2-14-3-10(4)6(11)5(8)9/h4-5H,2-3H2,1H3
InChI Key:
XKQUPJBFSHXBDG-UHFFFAOYSA-N
SMILES:
COC(=O)C1CSCN1C(=O)C(Cl)Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.968g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.113g/mol
Monoisotopic Mass:
256.968g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
© 2019 Angene International Limited. All rights Reserved.