200,000+ products from a single source!
sales@angenechem.com
130669-74-8 | Oxireno[e]-1,3-benzodioxole, 4-bromo-3a,5a,6a,6b-tetrahydro-2,2-dimethyl-, (3aS,5aR,6aR,6bS)-
CAS No: 130669-74-8 Catalog No: AG000URY MDL No:MFCD01863542
Product Description
Catalog Number:
AG000URY
Chemical Name:
Oxireno[e]-1,3-benzodioxole, 4-bromo-3a,5a,6a,6b-tetrahydro-2,2-dimethyl-, (3aS,5aR,6aR,6bS)-
CAS Number:
130669-74-8
Molecular Formula:
C9H11BrO3
Molecular Weight:
247.0858
MDL Number:
MFCD01863542
IUPAC Name:
(3aS,5aR,6aR,6bS)-4-bromo-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxole
InChI:
InChI=1S/C9H11BrO3/c1-9(2)12-6-4(10)3-5-7(11-5)8(6)13-9/h3,5-8H,1-2H3/t5-,6-,7-,8-/m1/s1
InChI Key:
IJFOOAYHPAECGI-WCTZXXKLSA-N
SMILES:
BrC1=C[C@H]2O[C@H]2[C@H]2[C@@H]1OC(O2)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
245.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.088g/mol
Monoisotopic Mass:
245.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.