200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 136593-45-8
136593-45-8 | Ethanone, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-
CAS No: 136593-45-8 Catalog No: AG00124I MDL No:MFCD07777109
Product Description
Catalog Number:
AG00124I
Chemical Name:
Ethanone, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-
CAS Number:
136593-45-8
Molecular Formula:
C9H6F2O3
Molecular Weight:
200.1389
MDL Number:
MFCD07777109
IUPAC Name:
1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanone
InChI:
InChI=1S/C9H6F2O3/c1-5(12)6-2-3-7-8(4-6)14-9(10,11)13-7/h2-4H,1H3
InChI Key:
BGHPIIBSWJDRLQ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)OC(O2)(F)F
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.141g/mol
Monoisotopic Mass:
200.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.