200,000+ products from a single source!
sales@angenechem.com
159015-41-5 | 7-Benzothiazolecarboxylic acid, 2-chloro-4,5-dihydro-6-hydroxy-, methyl ester
CAS No: 159015-41-5 Catalog No: AG001QF4 MDL No:
Product Description
Catalog Number:
AG001QF4
Chemical Name:
7-Benzothiazolecarboxylic acid, 2-chloro-4,5-dihydro-6-hydroxy-, methyl ester
CAS Number:
159015-41-5
Molecular Formula:
C9H8ClNO3S
Molecular Weight:
245.6827
IUPAC Name:
methyl 2-chloro-6-hydroxy-4,5-dihydro-1,3-benzothiazole-7-carboxylate
InChI:
InChI=1S/C9H8ClNO3S/c1-14-8(13)6-5(12)3-2-4-7(6)15-9(10)11-4/h12H,2-3H2,1H3
InChI Key:
ABMGWCPCWLAXBG-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(O)CCc2c1sc(n2)Cl
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.677g/mol
Monoisotopic Mass:
244.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.