200,000+ products from a single source!
sales@angenechem.com
183604-80-0 | 1,4-Benzoxathiin, 8-bromo-6-(1,1-dimethylethyl)-2,3-dihydro-
CAS No: 183604-80-0 Catalog No: AG0027R3 MDL No:
Product Description
Catalog Number:
AG0027R3
Chemical Name:
1,4-Benzoxathiin, 8-bromo-6-(1,1-dimethylethyl)-2,3-dihydro-
CAS Number:
183604-80-0
Molecular Formula:
C12H15BrOS
Molecular Weight:
287.2159
IUPAC Name:
8-bromo-6-tert-butyl-2,3-dihydro-1,4-benzoxathiine
InChI:
InChI=1S/C12H15BrOS/c1-12(2,3)8-6-9(13)11-10(7-8)15-5-4-14-11/h6-7H,4-5H2,1-3H3
InChI Key:
XQSDFZABBMSZJN-UHFFFAOYSA-N
SMILES:
Brc1cc(cc2c1OCCS2)C(C)(C)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.003g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.215g/mol
Monoisotopic Mass:
286.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.