200,000+ products from a single source!
sales@angenechem.com
89771-26-6 | 1,4-Benzenediol, 2-[(5-bromopentyl)thio]-, diacetate
CAS No: 89771-26-6 Catalog No: AG0040IJ MDL No:
Product Description
Catalog Number:
AG0040IJ
Chemical Name:
1,4-Benzenediol, 2-[(5-bromopentyl)thio]-, diacetate
CAS Number:
89771-26-6
Molecular Formula:
C15H23BrO6S
Molecular Weight:
411.3085
IUPAC Name:
acetic acid;2-(5-bromopentylsulfanyl)benzene-1,4-diol
InChI:
InChI=1S/C11H15BrO2S.2C2H4O2/c12-6-2-1-3-7-15-11-8-9(13)4-5-10(11)14;2*1-2(3)4/h4-5,8,13-14H,1-3,6-7H2;2*1H3,(H,3,4)
InChI Key:
FJBLFCJJUUXHMD-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.BrCCCCCSc1cc(O)ccc1O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.04g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
411.307g/mol
Monoisotopic Mass:
410.04g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.